4,6-Dichloro-2-methylnicotinic Acid - CAS 693286-31-6

Catalog:	BB033779
Product Name:	4,6-Dichloro-2-methylnicotinic Acid
CAS:	693286-31-6
Synonyms:	4,6-dichloro-2-methyl-3-pyridinecarboxylic acid; 4,6-dichloro-2-methylpyridine-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	4,6-dichloro-2-methylpyridine-3-carboxylic acid
Description:	4,6-Dichloro-2-methylnicotinic Acid (CAS# 693286-31-6) is a useful research chemical.
Molecular Weight:	206.03
Molecular Formula:	C7H5Cl2NO2
Canonical SMILES:	CC1=C(C(=CC(=N1)Cl)Cl)C(=O)O
InChI:	InChI=1S/C7H5Cl2NO2/c1-3-6(7(11)12)4(8)2-5(9)10-3/h2H,1H3,(H,11,12)
InChI Key:	GWYIZOFIYNAMAC-UHFFFAOYSA-N
LogP:	2.39500

Publication Number	Title	Priority Date
WO-2020035779-A1	Urea compounds and compositions as smarca2/brm atpase inhibitors	20180817
EP-3837256-A1	Urea compounds and compositions as smarca2/brm atpase inhibitors	20180817
JP-2021504317-A	SSAO / VAP-1 inhibitors of haloallylamines and their uses	20171121
TW-201840567-A	Pyrrolo[1,2-b]å-'𠯤 derivatives	20170216
TW-201827405-A	Cyst fibrosis transmembrane conductance regulating protein modulator, pharmaceutical composition, therapeutic method and method for preparing the same	20160930

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Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.9697338
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.9697338
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4