3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) supplier

Name
4-carbamoylpyridine-3-carboxylate
EINECS
CAS No. 24202-75-3
Density 1.458±0.06 g/cm3(Predicted)
Solubility
Melting Point 184-185 °C
Formula C₇H₅N₂O₃^-
Boiling Point 440.6 °C at 760 mmHg
Molecular Weight 166.136
Flash Point 220.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI);4-carbamoylpyridine-3-carboxylate;
PSA 96.11000
LogP -0.75570

3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) Specification

The 3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) is an organic compound with the formula C₇H₅N₂O₃^-. The IUPAC name of this chemical is 4-Carbamoylpyridine-3-carboxylate. The CAS registry number of this chemical is 24202-75-3. Besides, its molecular weight is 165.13.

The physical properties of 3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) are: (1)ACD/LogP: -1.41; (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: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 70.5 Å²; (10)Flash Point: 220.3 °C; (11)Enthalpy of Vaporization: 73.54 kJ/mol; (12)Boiling Point: 440.6 °C at 760 mmHg; (13)Vapour Pressure: 1.54E-08 mmHg at 25 °C.

Preparation: this chemical can be prepared by Pyridine-3,4-dicarboxylic acid 4-methyl ester. This reaction will need reagent conc. ammonium hydroxide. The reaction time is 2 days. The yield is about 88.4%.

3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) can be obtained by Pyridine-3,4-dicarboxylic acid 4-methyl ester

Uses of 3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI): it and Diazomethane can be used to produce 4-Carbamoyl-nicotinic acid methyl ester. It will need solvents diethyl ether and methanol. The yield is about 58.3%.

3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) and Diazomethane can be used to produce 4-Carbamoyl-nicotinic acid methyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])c1c(C(=O)N)ccnc1
(2)InChI: InChI=1/C7H6N2O3/c8-6(10)4-1-2-9-3-5(4)7(11)12/h1-3H,(H2,8,10)(H,11,12)/p-1
(3)InChIKey: PUXXPJODVNKSAT-REWHXWOFAC
(4)Std. InChI: InChI=1S/C7H6N2O3/c8-6(10)4-1-2-9-3-5(4)7(11)12/h1-3H,(H2,8,10)(H,11,12)/p-1
(5)Std. InChIKey: PUXXPJODVNKSAT-UHFFFAOYSA-M

Product Name

4-carbamoylpyridine-3-carboxylate

3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) Specification

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