Methyl 2-Chloro-6-methylnicotinate - CAS 53277-47-7

Catalog:	BB028116
Product Name:	Methyl 2-Chloro-6-methylnicotinate
CAS:	53277-47-7
Synonyms:	2-chloro-6-methyl-3-pyridinecarboxylic acid methyl ester; methyl 2-chloro-6-methylpyridine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-chloro-6-methylpyridine-3-carboxylate
Description:	Methyl 2-Chloro-6-methylnicotinate (CAS# 53277-47-7) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	CC1=NC(=C(C=C1)C(=O)OC)Cl
InChI:	InChI=1S/C8H8ClNO2/c1-5-3-4-6(7(9)10-5)8(11)12-2/h3-4H,1-2H3
InChI Key:	SHKDOGHJQHIIRD-UHFFFAOYSA-N
Boiling Point:	242.7 °C at 760 mmHg
Density:	1.247 g/cm³
MDL:	MFCD11845763
LogP:	1.83000

Publication Number	Title	Priority Date
JP-2021152037-A	Heterocyclic amide compound	20210611
JP-2020164533-A	Heterocyclic amide compound	20200529
WO-2021026100-A1	Pyridine derivatives as kif18a inhibitors	20190802
WO-2020243027-A1	Compounds, compositions, and methods of use	20190524
WO-2020232378-A1	Benzo[b][1,8]naphthyridine acetic acid derivatives and methods of use	20190516

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	2.1