6-Chloro-4-hydroxynicotinic Acid - CAS 162371-83-7

Catalog:	BB011863
Product Name:	6-Chloro-4-hydroxynicotinic Acid
CAS:	162371-83-7
Synonyms:	6-chloro-4-oxo-1H-pyridine-3-carboxylic acid; 6-chloro-4-oxo-1H-pyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-chloro-4-oxo-1H-pyridine-3-carboxylic acid
Description:	6-Chloro-4-hydroxynicotinic Acid (CAS# 162371-83-7 ) is a useful research chemical.
Molecular Weight:	173.55
Molecular Formula:	C6H4ClNO3
Canonical SMILES:	C1=C(NC=C(C1=O)C(=O)O)Cl
InChI:	InChI=1S/C6H4ClNO3/c7-5-1-4(9)3(2-8-5)6(10)11/h1-2H,(H,8,9)(H,10,11)
InChI Key:	IFLVSTFTAIRQEJ-UHFFFAOYSA-N
LogP:	1.13880

Publication Number	Title	Priority Date
CA-2756250-A1	4,5-dihydro-1h-pyrazole compounds and their pharmaceutical uses	20090410
EP-2417121-A1	4, 5-dihydro-1h-pyrazole compounds and their pharmaceutical uses	20090410
JP-2012523405-A	4,5-Dihydro-1H-pyrazole compound and pharmaceutical use thereof	20090410
US-2012022058-A1	4,5-dihydro-1h-pyrazole compounds and their pharmaceutical uses	20090410
WO-2010116282-A1	4, 5-dihydro-lh-pyrazole compounds and their pharmaceutical uses	20090410

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Carbonyl Compounds

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Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.9879707
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.9879707
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3