Methyl 2-chloro-6-methylpyridine-4-carboxylate - CAS 3998-90-1

Catalog:	BB024241
Product Name:	Methyl 2-chloro-6-methylpyridine-4-carboxylate
CAS:	3998-90-1
Synonyms:	methyl 2-chloro-6-methylpyridine-4-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	methyl 2-chloro-6-methylpyridine-4-carboxylate
Description:	Methyl 2-chloro-6-methylpyridine-4-carboxylate (CAS# 3998-90-1) is used in the synthesis of pyridine derivatives as antitubercular agents.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	CC1=NC(=CC(=C1)C(=O)OC)Cl
InChI:	InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3
InChI Key:	BDWMGYZSQKGUFA-UHFFFAOYSA-N
Boiling Point:	124-125 °C (7 mmHg)
Density:	1.247 g/cm³
MDL:	MFCD04038391
LogP:	1.83000

Publication Number	Title	Priority Date
WO-2021147974-A1	Novel heterocyclic compounds useful as aurora a selective inhibitors	20200122
WO-2020230134-A1	Acss2 inhibitors and methods of use thereof	20190514
WO-2020138271-A1	HETEROCYCLIC DERIVATIVES AS Nav1.7 and Nav1.8 BLOCKERS	20181226
TW-202038950-A	Heterocyclic derivatives as nav1.7 and nav1.8 blockers	20181226
CN-113164461-A	Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers	20181226

PMID	Publication Date	Title	Journal
20936789	20101111	Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[144584-32-7]
3-Bromo-2,4-dichloropyridine
[1222533-88-1]
5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
[2241983-13-9]
5-[(8S,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl]pyridine-2-D
[19840-44-9]
5-Bromo-1,6-dihydro-6-oxo-3-pyridinecarbonitrile

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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