5-Hydroxy-pyridine-2-carboxylic acid methyl ester supplier

Name
5-HYDROXY-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 30766-12-2
Article Data19
CAS DataBase
Density 1.287 g/cm³
Solubility
Melting Point 193.5-195.5℃
Formula C₇H₇NO₃
Boiling Point 374.2 °C at 760 mmHg
Molecular Weight 153.137
Flash Point 180.1 °C
Transport Information
Appearance
Safety 24/25-36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms Picolinicacid, 5-hydroxy-, methyl ester (8CI);5-Hydroxy-2-pyridinecarboxylic acidmethyl ester;6-Methoxycarbonylpyridin-3-ol;Methyl5-hydroxy-2-pyridinecarboxylate;
PSA 59.42000
LogP 0.57380

5-Hydroxy-pyridine-2-carboxylic acid methyl ester Specification

The 5-Hydroxy-pyridine-2-carboxylic acid methyl ester is an organic compound with the formula C₇H₇NO₃. The IUPAC name of this chemical is methyl 5-hydroxypyridine-2-carboxylate. With the CAS registry number 30766-12-2, it is also named as 2-pyridinecarboxylic acid, 5-hydroxy-, methyl ester.

The other characteristics of 5-Hydroxy-pyridine-2-carboxylic acid methyl ester can be summarized as: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 2.29; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 61.57; (8)ACD/KOC (pH 7.4): 11.51; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 37.99 cm³; (14)Molar Volume: 118.9 cm³; (15)Polarizability: 15.06×10^-24cm³; (16)Surface Tension: 53.1 dyne/cm; (17)Enthalpy of Vaporization: 64.59 kJ/mol; (18)Vapour Pressure: 3.95E-06 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 5; (21)Exact Mass: 153.042593; (22)MonoIsotopic Mass: 153.042593; (23)Topological Polar Surface Area: 59.4; (24)Heavy Atom Count: 11; (25)Complexity: 149.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)c1ncc(O)cc1
2. InChI:InChI=1/C7H7NO3/c1-11-7(10)6-3-2-5(9)4-8-6/h2-4,9H,1H3
3. InChIKey:YYAYXDDHGPXWTA-UHFFFAOYAA
4. Std. InChI:InChI=1S/C7H7NO3/c1-11-7(10)6-3-2-5(9)4-8-6/h2-4,9H,1H3
5. Std. InChIKey:YYAYXDDHGPXWTA-UHFFFAOYSA-N

Product Name

5-HYDROXY-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER

5-Hydroxy-pyridine-2-carboxylic acid methyl ester Specification

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