Methyl 2-methylisonicotinate supplier

Name
2-methyl-4-pyridinecarboxylic acid methyl ester
EINECS
CAS No. 16830-24-3
Article Data17
CAS DataBase
Density 1.105 g/cm³
Solubility
Melting Point
Formula C₈H₉NO₂
Boiling Point 221.924 °C at 760 mmHg
Molecular Weight 151.165
Flash Point 88.017 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-4-pyridinecarboxylic acid methyl ester;
PSA 39.19000
LogP 1.17660

Methyl 2-methylisonicotinate Specification

The Methyl 2-methylisonicotinate, with the CAS registry number 16830-24-3, is also known as 2-Methyl-4-pyridinecarboxylic acid methyl ester. It belongs to the product categories of Carboxylicester. This chemical's molecular formula is C₈H₉NO₂ and molecular weight is 151.16256. What's more, its IUPAC name is Methyl 2-methylpyridine-4-carboxylate.

Physical properties about Methyl 2-methylisonicotinate are: (1) ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 126; (8)ACD/KOC (pH 7.4): 128; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 40.942 cm³; (15)Molar Volume: 136.825 cm³; (16)Polarizability: 16.231×10^-24 cm³; (17)Surface Tension: 39.916 dyne/cm; (18)Density: 1.105 g/cm³; (19)Flash Point: 88.017 °C; (20)Enthalpy of Vaporization: 45.838 kJ/mol; (21)Boiling Point: 221.924 °C at 760 mmHg; (22)Vapour Pressure: 0.104 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccnc(c1)C
(2) InChI: InChI=1/C8H9NO2/c1-6-5-7(3-4-9-6)8(10)11-2/h3-5H,1-2H3
(3) InChIKey: HHUNWJWOJPWLNK-UHFFFAOYAR

Product Name

2-methyl-4-pyridinecarboxylic acid methyl ester

Methyl 2-methylisonicotinate Specification

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