Methyl 6-methylpyridine-2-carboxylate

HCID 73022CAS 13602-11-4

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1cccc(C)n1
InChIKey: CYWIZMOZBTXFIL-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: Methyl 6-methylpyridine-2-carboxylate
IUPAC: methyl 6-methylpyridine-2-carboxylate
English name: methyl 6-methylpyridine-2-carboxylate
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

Methyl 6-methylpyridine-2-carboxylate13602-11-4Methyl 6-methylpicolinate6-Methylpyridine-2-carboxylic acid methyl esterMethyl 6-methyl-2-pyridinecarboxylate2-Pyridinecarboxylic acid, 6-methyl-, methyl ester6-methylpicolinic acid methyl esterH33TY2BZE4NSC-109151EINECS 237-085-0UNII-H33TY2BZE4NSC 109151

Show more names

Methyl-6-methylpyridin-2-carboxylatMETHYL-6-MENTHYPYRIDINE-2-CARBOXYLATEMethyl6-Methylpyridine-2-carboxylate>Methyl6-methylpyridine-2-carboxylate,96%6-methyl-2-pyridinecarboxylic acid ester

2-METHYL-6-METHOXYCARBONYLPYRIDINEDTXSID90159632PICOLINIC ACID, 6-METHYL-, METHYL ESTER6-METHYLPYRIDIN-2-CARBOXYLIC ACID METHYL ESTERRefChem:157725DTXCID8082123237-085-0MFCD06203670

Database identifiers

CAS: 13602-11-4
PubChem CID: 73022
DTXSID: DTXSID90159632
UNII: H33TY2BZE4
EC Number: 237-085-0
Nikkaji: J277.952H

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 18 °C · 18 °C
Boiling point: 242 ℃ · 242℃
Density: 1.104 · 1.104
refractive index: 1.516 · 1.5160-1.5200
Flash point: 100 ℃ · 100℃
storage temp.: Inert atmosphere,Room Temperature
form: powder to lump to clear liquid
pka: 1.93 · 1.93±0.10(Predicted)
color: White or Colorless to Light yellow
FDA UNII: 33 TY2BZE4 · H33TY2BZE4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

UsesMethyl 6-Methylpyridine-2-carboxylate is a reagent used in the sunthesis of antitumor agents based upon the dihydropyrrolopyrazole compounds. Also used in the synthesis of quinazolinone TGF-β inhibitors.