2-Chloro-4-methoxynicotinic Acid - CAS 394729-98-7

Catalog:	BB023995
Product Name:	2-Chloro-4-methoxynicotinic Acid
CAS:	394729-98-7
Synonyms:	2-chloro-4-methoxy-3-pyridinecarboxylic acid; 2-chloro-4-methoxypyridine-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-methoxypyridine-3-carboxylic acid
Description:	2-Chloro-4-methoxynicotinic Acid (CAS# 394729-98-7) is a useful research chemical.
Molecular Weight:	187.58
Molecular Formula:	C7H6ClNO3
Canonical SMILES:	COC1=C(C(=NC=C1)Cl)C(=O)O
InChI:	InChI=1S/C7H6ClNO3/c1-12-4-2-3-9-6(8)5(4)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key:	ZBHVWHBZHRBHRQ-UHFFFAOYSA-N
LogP:	1.44180

Publication Number	Title	Priority Date
US-10150751-B2	Pyrrolidine orexin receptor antagonists	20141219
US-2017342052-A1	Pyrrolidine orexin receptor antagonists	20141219
WO-2016095204-A1	Pyrrolidine orexin receptor antagonists	20141219
WO-2016100154-A1	Pyrrolidine orexin receptor antagonists	20141219
CA-2968464-A1	Substituted pyridobenzodiazepinone-derivatives and use thereof	20141125

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.0036207
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.0036207
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3