6-Chloro-5-methylnicotinic Acid - CAS 66909-29-3

Catalog:	BB033140
Product Name:	6-Chloro-5-methylnicotinic Acid
CAS:	66909-29-3
Synonyms:	6-chloro-5-methyl-3-pyridinecarboxylic acid; 6-chloro-5-methylpyridine-3-carboxylic acid

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Computed Properties

IUPAC Name:	6-chloro-5-methylpyridine-3-carboxylic acid
Description:	6-Chloro-5-methylnicotinic Acid (CAS# 66909-29-3) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	CC1=C(N=CC(=C1)C(=O)O)Cl
InChI:	InChI=1S/C7H6ClNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H,10,11)
InChI Key:	MAOUFLRMKAFPTB-UHFFFAOYSA-N
MDL:	MFCD17214192
LogP:	1.74160

Publication Number	Title	Priority Date
WO-2019063748-A1	INHIBITORS OF ROR-GAMMA	20170930
AU-2015365465-A1	Amido thiadiazole derivatives as NADPH Oxidase inhibitors	20141217
AU-2015365465-B2	Amido thiadiazole derivatives as NADPH Oxidase inhibitors	20141217
CA-2971357-A1	Amido thiadiazole derivatives as nadph oxidase inhibitors	20141217
EP-3034500-A1	Amido thiazole derivatives as NADPH oxidase inhibitors	20141217

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0087061
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.0087061
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7