Product Name

  • Name

    5-Methylnicotinic acid

  • EINECS -0
  • CAS No. 3222-49-9
  • Article Data13
  • CAS DataBase
  • Density 1.23 g/cm3
  • Solubility
  • Melting Point 210-212 °C
  • Formula C7H7NO2
  • Boiling Point 303.9 °C at 760 mmHg
  • Molecular Weight 137.138
  • Flash Point 137.6 °C
  • Transport Information
  • Appearance white crystalline powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 3222-49-9 (5-Methylnicotinic acid)
  • Hazard Symbols IrritantXi
  • Synonyms 5-Methylpyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 5-methyl-;
  • PSA 50.19000
  • LogP 1.08820

Synthetic route

1-(5-methylpyridin-3-yl)ethanone
42972-46-3

1-(5-methylpyridin-3-yl)ethanone

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With sodium hydroxide; bromine In water Ambient temperature;61%
3,5-Lutidine
591-22-0

3,5-Lutidine

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With potassium permanganate In water at 25 - 45℃; for 20h;59.4%
With potassium permanganate In water at 45℃;46%
With potassium permanganate at 45℃; for 20h;41%
With potassium permanganate In water; acetone at 70℃; for 2h; Title compound not separated from byproducts;
3,5-Lutidine
591-22-0

3,5-Lutidine

A

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

B

3,5-Pyridinedicarboxylic acid
499-81-0

3,5-Pyridinedicarboxylic acid

Conditions
ConditionsYield
With potassium permanganate In water 1.) from RT to 43 deg C, 5 h, 2.) 45 deg C, overnight;A 27%
B n/a
3-methylquinoline
612-58-8

3-methylquinoline

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With potassium permanganate Erhitzen des Reaktionsprodukts im Hochvakuum;
3-methyl-5-pentyl-pyridine
112945-08-1

3-methyl-5-pentyl-pyridine

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With potassium permanganate
3-methyl-pyridine-dicarboxylic acid-(2.5)

3-methyl-pyridine-dicarboxylic acid-(2.5)

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With acetic anhydride; acetic acid at 225℃;
5-methyl-pyridine-dicarboxylic acid-(2.3)

5-methyl-pyridine-dicarboxylic acid-(2.3)

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

Conditions
ConditionsYield
With acetic anhydride; acetic acid at 225℃;
3-methylquinoline
612-58-8

3-methylquinoline

water
7732-18-5

water

permanganate

permanganate

A

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

B

5-methyl-pyridine-2,3-dicarboxylic acid
53636-65-0

5-methyl-pyridine-2,3-dicarboxylic acid

...Expand
methanol
67-56-1

methanol

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

5-methylnicotinic acid methyl ester
29681-45-6

5-methylnicotinic acid methyl ester

Conditions
ConditionsYield
With thionyl chloride at 20℃; for 4h; Concentration; Inert atmosphere; Reflux;98.2%
With thionyl chloride at 60 - 65℃; Inert atmosphere;96%
With thionyl chloride at 82℃; for 6.33333h; Temperature; Concentration;96.5%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

descarboethoxyloratadine
100643-71-8

descarboethoxyloratadine

[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-(5-methyl-pyridin-3-yl)-methanone

[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-(5-methyl-pyridin-3-yl)-methanone

Conditions
ConditionsYield
With boric acid In toluene Concentration; Reflux;95%
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 18h; Ambient temperature;44%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

tert-butyl (S)-(1-(3-aminophenyl)ethyl)carbamate

tert-butyl (S)-(1-(3-aminophenyl)ethyl)carbamate

tert-butyl (S)-(1-(3 -(5-methylnicotinamido)phenyl)ethyl)carbamate

tert-butyl (S)-(1-(3 -(5-methylnicotinamido)phenyl)ethyl)carbamate

Conditions
ConditionsYield
Stage #1: 5-methylnicotinic acid With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 0.333333h;
Stage #2: tert-butyl (S)-(1-(3-aminophenyl)ethyl)carbamate With N-ethyl-N,N-diisopropylamine at 20℃; for 16h;		92%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

N,O-dimethylhydroxylamine*hydrochloride
6638-79-5

N,O-dimethylhydroxylamine*hydrochloride

N-methoxy-N,5-dimethylnicotinamide
342602-12-4

N-methoxy-N,5-dimethylnicotinamide

Conditions
ConditionsYield
Stage #1: 5-methylnicotinic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide for 0.5h;
Stage #2: N,O-dimethylhydroxylamine*hydrochloride In N,N-dimethyl-formamide at 20℃; for 16h;		91%
Stage #1: 5-methylnicotinic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1h;
Stage #2: N,O-dimethylhydroxylamine*hydrochloride With pyridine In dichloromethane at 0 - 20℃; for 18h;		87%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

dihydroartemisinin
71939-50-9

dihydroartemisinin

C22H29NO6

C22H29NO6

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 9.5h;86%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

(S)-5-((1-(3-aminophenyl)ethyl)amino)-1-(4-methoxybenzyl)-3-methyl-1.3-dihydro-2H-imidazo[4.5-b]pyrazin-2-one

(S)-5-((1-(3-aminophenyl)ethyl)amino)-1-(4-methoxybenzyl)-3-methyl-1.3-dihydro-2H-imidazo[4.5-b]pyrazin-2-one

(S)-N-(3-(1-((1-(4-methoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-5-yl)amino)ethyl)phenyl)-5-methylnicotinamide

(S)-N-(3-(1-((1-(4-methoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-5-yl)amino)ethyl)phenyl)-5-methylnicotinamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 2h;86%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

N-(4-methyl-3-(piperidin-4-yloxy)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzoamide trihydrochloride

N-(4-methyl-3-(piperidin-4-yloxy)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzoamide trihydrochloride

N-(4-methyl-3-((1-(5-methylnicotinoyl)piperidin-4-yl)oxy)-phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)-benzamide

N-(4-methyl-3-((1-(5-methylnicotinoyl)piperidin-4-yl)oxy)-phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)-benzamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 0 - 20℃; for 2h;76%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

A

5-methyl-2-pyridinecarboxamide
20970-77-8

5-methyl-2-pyridinecarboxamide

B

5-methylpyridinylcarboxamide
70-57-5

5-methylpyridinylcarboxamide

Conditions
ConditionsYield
With ammonium chloride In methanol; thionyl chloride; 1,1-dichloroethaneA 73%
B n/a
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

tert-butyl (S)-5-((1-(3-aminophenyl)ethyl)amino)-3-methyl-1H-pyrazolo[3,4-b]pyrazine-1-carboxylate

tert-butyl (S)-5-((1-(3-aminophenyl)ethyl)amino)-3-methyl-1H-pyrazolo[3,4-b]pyrazine-1-carboxylate

tert-butyl (S)-3-methyl-5-((1-(3-(5-methylnicotinamido)phenyl)ethyl)amino)-1H-pyrazolo[3,4-b]pyrazine-1-carboxylate

tert-butyl (S)-3-methyl-5-((1-(3-(5-methylnicotinamido)phenyl)ethyl)amino)-1H-pyrazolo[3,4-b]pyrazine-1-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 2h;73%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

(S)-N-(1-(3-aminophenyl)ethyl)-6-methylfuro[2,3-b]pyrazin-3-amine

(S)-N-(1-(3-aminophenyl)ethyl)-6-methylfuro[2,3-b]pyrazin-3-amine

(S)-5-methyl-N-(3-(1-((6-methylfuro[2,3-b]pyrazin-3-yl)amino)ethyl)phenyl)nicotinamide hydrochloride salt

(S)-5-methyl-N-(3-(1-((6-methylfuro[2,3-b]pyrazin-3-yl)amino)ethyl)phenyl)nicotinamide hydrochloride salt

Conditions
ConditionsYield
Stage #1: 5-methylnicotinic acid; (S)-N-(1-(3-aminophenyl)ethyl)-6-methylfuro[2,3-b]pyrazin-3-amine With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 2h;
Stage #2: With hydrogenchloride In methanol; water		72%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

thiosemicarbazide
79-19-6

thiosemicarbazide

5-(5-methylpyridin-3-yl)-1,3,4-thiadiazol-2-amine

5-(5-methylpyridin-3-yl)-1,3,4-thiadiazol-2-amine

Conditions
ConditionsYield
With polyphosphoric acid at 140℃; for 1h;71%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

C12H16N2O2
1035211-30-3

C12H16N2O2

C19H21N3O3

C19H21N3O3

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 70℃;70%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 70℃;70%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

2-(1-phenyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl)-1H-benzo[d]imidazole

2-(1-phenyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl)-1H-benzo[d]imidazole

(2-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)(5-methylpyridin-3-yl)methanone

(2-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)(5-methylpyridin-3-yl)methanone

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 4.5h;70%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

tert-butyl alcohol
75-65-0

tert-butyl alcohol

tert-butyl N-(5-methylpyridin-3-yl)carbamate
631910-23-1

tert-butyl N-(5-methylpyridin-3-yl)carbamate

Conditions
ConditionsYield
With diphenyl phosphoryl azide; N-ethyl-N,N-diisopropylamine at 80℃;67%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

N-ethyl-N,N-diisopropylamine
7087-68-5

N-ethyl-N,N-diisopropylamine

tert-butyl N-(5-methylpyridin-3-yl)carbamate
631910-23-1

tert-butyl N-(5-methylpyridin-3-yl)carbamate

Conditions
ConditionsYield
With diphenylphosphoranyl azide In ethyl acetate; tert-butyl alcohol67%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

3-aminophenylboronic acid pinacolate
210907-84-9

3-aminophenylboronic acid pinacolate

5-methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)nicotinamide

5-methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)nicotinamide

Conditions
ConditionsYield
Stage #1: 5-methylnicotinic acid; 3-aminophenylboronic acid pinacolate With HATU In N,N-dimethyl-formamide at 30℃; for 0.0833333h;
Stage #2: With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 30℃; for 16h;		67%
4-amino-4-cyano-piperidine-1-carboxylic acid tert-butyl ester
331281-25-5

4-amino-4-cyano-piperidine-1-carboxylic acid tert-butyl ester

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

4-cyano-4-[(5-methyl-pyridine-3-carbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
1084926-72-6

4-cyano-4-[(5-methyl-pyridine-3-carbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 40℃;65%
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 40℃;65%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

C23H15F3N4

C23H15F3N4

(5-methylpyridin-3-yl)(2-(1-phenyl-3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)methanone

(5-methylpyridin-3-yl)(2-(1-phenyl-3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)methanone

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 4.5h;65%
diazomethane
186581-53-3, 908094-01-9

diazomethane

5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

5-methylnicotinic acid methyl ester
29681-45-6

5-methylnicotinic acid methyl ester

Conditions
ConditionsYield
In methanol; diethyl ether63%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

N-[(1S)-1-(3-aminophenyl)ethyl]-6-bromopyridin-2-amine
1027256-71-8

N-[(1S)-1-(3-aminophenyl)ethyl]-6-bromopyridin-2-amine

N-(3-{(1S)-1-[(6-bromopyridin-2-yl)amino]ethyl}phenyl)-5-methylnicotinamide
1027253-76-4

N-(3-{(1S)-1-[(6-bromopyridin-2-yl)amino]ethyl}phenyl)-5-methylnicotinamide

Conditions
ConditionsYield
With 4-pyrrolidin-1-ylpyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 17h;63%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

(4-cyclobutyl-1,4-diazepan-1-yl)(7-azaspiro[3.5]nonan-2-yl)-methanone
1227610-25-4

(4-cyclobutyl-1,4-diazepan-1-yl)(7-azaspiro[3.5]nonan-2-yl)-methanone

(4-cyclobutyl-1,4-diazepan-1-yl)(7-(5-methylnicotinoyl)-7-azaspiro[3.5]nonan-2-yl)methanone
1227609-95-1

(4-cyclobutyl-1,4-diazepan-1-yl)(7-(5-methylnicotinoyl)-7-azaspiro[3.5]nonan-2-yl)methanone

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 72h;62%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

2-(1-phenyl-3-(4-methylphenyl)-1H-pyrazol-4-yl)-1H-benzo[d]imidazole

2-(1-phenyl-3-(4-methylphenyl)-1H-pyrazol-4-yl)-1H-benzo[d]imidazole

C30H23N5O

C30H23N5O

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 4.5h;61%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

NADP
53-59-8

NADP

5-methyl-NAADP

5-methyl-NAADP

Conditions
ConditionsYield
With Aplysia californica ADP-ribosyl cyclase; sodium hydroxide In water at 37℃; for 2.5h; pH=4;59%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

(S)-N-(1-(3-aminophenyl)ethyl)-2-ethyl-2H-pyrazolo[3,4-b]pyrazin-6-amine

(S)-N-(1-(3-aminophenyl)ethyl)-2-ethyl-2H-pyrazolo[3,4-b]pyrazin-6-amine

(S)-N-(3-(1-((2-ethyl-2H-pyrazolo[3.4-b]pyrazin-6-yl)amino)ethyl)phenyl)-5-methylnicotinamide hydrochloride salt

(S)-N-(3-(1-((2-ethyl-2H-pyrazolo[3.4-b]pyrazin-6-yl)amino)ethyl)phenyl)-5-methylnicotinamide hydrochloride salt

Conditions
ConditionsYield
Stage #1: 5-methylnicotinic acid; (S)-N-(1-(3-aminophenyl)ethyl)-2-ethyl-2H-pyrazolo[3,4-b]pyrazin-6-amine With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 3h;
Stage #2: With hydrogenchloride In 1,4-dioxane		57%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

lead(II) acetate trihydrate
6080-56-4

lead(II) acetate trihydrate

[Pb(5-methylnicotinate)2]n

[Pb(5-methylnicotinate)2]n

Conditions
ConditionsYield
With sodium hydroxide In acetonitrile at 125℃; for 48h; High pressure;56%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

lead(II) nitrate

lead(II) nitrate

[Pb(5-methylnicotinate)(NO3)]n

[Pb(5-methylnicotinate)(NO3)]n

Conditions
ConditionsYield
With sodium hydroxide In acetonitrile at 125℃; for 48h; High pressure;51%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

(4-cyclobutylpiperazin-1-yl)(7-azaspiro[3.5]nonan-2-yl)methanone
1227610-21-0

(4-cyclobutylpiperazin-1-yl)(7-azaspiro[3.5]nonan-2-yl)methanone

(4-cyclobutylpiperazin-1-yl)(7-(5-methylnicotinoyl)-7-azaspiro[3.5]nonan-2-yl)methanone
1227609-74-6

(4-cyclobutylpiperazin-1-yl)(7-(5-methylnicotinoyl)-7-azaspiro[3.5]nonan-2-yl)methanone

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide49.2%
5-methylnicotinic acid
3222-49-9

5-methylnicotinic acid

C14H12ClF3N4O

C14H12ClF3N4O

N-[(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide

N-[(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 16h;47%

5-Methylnicotinic acid Specification

The CAS register number of 5-Methylnicotinic acid is 3222-49-9. It also can be called as 3-Pyridinecarboxylic acid, 5-methyl- and the systematic name about this chemical is 5-methylpyridine-3-carboxylic acid. The molecular formula about this chemical is C7H7NO2 and the molecular weight is 137.14. It belongs to the following product categories which include Nitrogen cyclic compounds; Pyridine Series; Pharmacetical; Building Blocks; Pyridine; Pyridines and so on.

Physical properties about 5-Methylnicotinic acid are: (1)ACD/LogP: 0.61; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 39.19Å2; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 36.09 cm3; (12)Molar Volume: 111.4 cm3; (13)Polarizability: 14.31x10-24cm3; (14)Surface Tension: 53.3 dyne/cm; (15)Flash Point: 137.6 °C; (16)Enthalpy of Vaporization: 57.47 kJ/mol; (17)Boiling Point: 303.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000398 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5-dimethyl-pyridine. This reaction will need reagent KMnO4 and solvent acetone, H2O. The reaction time is 2 hour(s) with reaction temperature of 70 °C.

Uses of 5-Methylnicotinic acid: it can be used to produce 5-methyl-nicotinic acid methyl ester with diazomethane. This reaction will need solvent diethyl ether, methanol. The yield is about 63%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cncc(c1)C
(2)InChI: InChI=1/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
(3)InChIKey: DJDHHXDFKSLEQY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
(5)Std. InChIKey: DJDHHXDFKSLEQY-UHFFFAOYSA-N

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