2-(5,7-Difluoro-6-quinolyl)propanoic acid - CAS 1226776-94-8

Catalog:	BB005452
Product Name:	2-(5,7-Difluoro-6-quinolyl)propanoic acid
CAS:	1226776-94-8
Synonyms:	2-(5,7-difluoro-6-quinolinyl)propanoic acid; 2-(5,7-difluoroquinolin-6-yl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(5,7-difluoroquinolin-6-yl)propanoic acid
Description:	2-(5,7-Difluoro-6-quinolyl)propanoic acid (CAS# 1226776-94-8 ) is a useful research chemical.
Molecular Weight:	237.20
Molecular Formula:	C12H9F2NO2
Canonical SMILES:	CC(C1=C(C=C2C(=C1F)C=CC=N2)F)C(=O)O
InChI:	InChI=1S/C12H9F2NO2/c1-6(12(16)17)10-8(13)5-9-7(11(10)14)3-2-4-15-9/h2-6H,1H3,(H,16,17)
InChI Key:	KGLPTUKGKASCTM-UHFFFAOYSA-N
LogP:	2.70110

Publication Number	Title	Priority Date
EP-2673277-A1	[1, 2, 4]triazolo [4, 3 -b]pyridazine compounds as inhibitors of the c-met tyrosine kinase	20110210
US-2013324526-A1	[1,2,4] triazolo [4,3-b] pyridazine compounds as inhibitors of the c-met tyrosine kinase	20110210
WO-2012107500-A1	[1, 2, 4] triazolo [4, 3 -b] pyridazine compounds as inhibitors of the c-met tyrosine kinase	20110210
EP-2467383-A1	Heterocyclic oxime compounds	20090820
US-2011065708-A1	Heterocyclic oxime compounds	20090820

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Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.06013485
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.06013485
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4