1-(6-Chloro-2-methylnicotinoyl)-4-piperidinone - CAS 2202767-94-8

Catalog:	BB017303
Product Name:	1-(6-Chloro-2-methylnicotinoyl)-4-piperidinone
CAS:	2202767-94-8
Synonyms:	1-[(6-chloro-2-methyl-3-pyridinyl)-oxomethyl]-4-piperidinone; 1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one

Technical Data

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Computed Properties

IUPAC Name:	1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one
Description:	1-(6-Chloro-2-methylnicotinoyl)-4-piperidinone (CAS# 2202767-94-8 ) is a useful research chemical.
Molecular Weight:	252.70
Molecular Formula:	C12H13ClN2O2
Canonical SMILES:	CC1=C(C=CC(=N1)Cl)C(=O)N2CCC(=O)CC2
InChI:	InChI=1S/C12H13ClN2O2/c1-8-10(2-3-11(13)14-8)12(17)15-6-4-9(16)5-7-15/h2-3H,4-7H2,1H3
InChI Key:	AFNJMQQFERILMC-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020224568-A1	Cdk inhibitors	20190505
CN-109963842-A	Benzimidazoles compound kinase inhibitor and its preparation method and application	20160907
WO-2018045956-A1	Benzimidazole compound kinase inhibitor, preparation method therefor and application thereof	20160907
CN-109963842-B	Benzimidazole compound kinase inhibitor and preparation method and application thereof	20160907
CN-112225724-A	Benzimidazole compound kinase inhibitor and preparation method and application thereof	20160907

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Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.0665554
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.0665554
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1