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Methyl 6-Chloro-3-methylpyridine-2-carboxylate

Methyl 6-Chloro-3-methylpyridine-2-carboxylate - CAS 878207-92-2

Catalog:	BB038651
Product Name:	Methyl 6-Chloro-3-methylpyridine-2-carboxylate
CAS:	878207-92-2
Synonyms:	6-chloro-3-methyl-2-pyridinecarboxylic acid methyl ester; methyl 6-chloro-3-methylpyridine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 6-chloro-3-methylpyridine-2-carboxylate
Description:	Methyl 6-Chloro-3-methylpyridine-2-carboxylate (CAS# 878207-92-2) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	CC1=C(N=C(C=C1)Cl)C(=O)OC
InChI:	InChI=1S/C8H8ClNO2/c1-5-3-4-6(9)10-7(5)8(11)12-2/h3-4H,1-2H3
InChI Key:	XWPSWOKQWBNRDW-UHFFFAOYSA-N
Boiling Point:	288.7 °C at 760 mmHg
Density:	1.247 g/cm³
Appearance:	White to yellow solid
LogP:	1.83000

Publication Number	Title	Priority Date
WO-2021147974-A1	Novel heterocyclic compounds useful as aurora a selective inhibitors	20200122
US-2020055874-A1	INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION	20180820
WO-2020041169-A2	Inhibitors of keap1-nrf2 protein-protein interaction	20180820
US-10947252-B2	Inhibitors of KEAP1-Nrf2 protein-protein interaction	20180820
EP-3833662-A2	Inhibitors of keap1-nrf2 protein-protein interaction	20180820

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0243562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4