3-Chloro-2-methoxyisonicotinic Acid - CAS 1211584-06-3

Catalog:	BB005089
Product Name:	3-Chloro-2-methoxyisonicotinic Acid
CAS:	1211584-06-3
Synonyms:	3-chloro-2-methoxy-4-pyridinecarboxylic acid; 3-chloro-2-methoxypyridine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-2-methoxypyridine-4-carboxylic acid
Description:	3-Chloro-2-methoxyisonicotinic Acid (CAS# 1211584-06-3) is a useful research chemical.
Molecular Weight:	187.58
Molecular Formula:	C7H6ClNO3
Canonical SMILES:	COC1=NC=CC(=C1Cl)C(=O)O
InChI:	InChI=1S/C7H6ClNO3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3H,1H3,(H,10,11)
InChI Key:	GLKKQNFVOGCQFU-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.44180

Publication Number	Title	Priority Date
US-2020102303-A1	Monoacylglycerol Lipase Modulators	20180928
US-2020102311-A1	Monoacylglycerol Lipase Modulators	20180928
WO-2020065613-A1	Monoacylglycerol lipase modulators	20180928
WO-2020065614-A1	Monoacylglycerol lipase modulators	20180928
TW-202028198-A	Monoacylglycerol lipase modulators	20180928

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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