5-Chloro-2-methylnicotinic Acid - CAS 1092286-30-0

Catalog:	BB002396
Product Name:	5-Chloro-2-methylnicotinic Acid
CAS:	1092286-30-0
Synonyms:	5-chloro-2-methyl-3-pyridinecarboxylic acid; 5-chloro-2-methylpyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-2-methylpyridine-3-carboxylic acid
Description:	5-Chloro-2-methylnicotinic Acid (CAS# 1092286-30-0 ) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	CC1=NC=C(C=C1C(=O)O)Cl
InChI:	InChI=1S/C7H6ClNO2/c1-4-6(7(10)11)2-5(8)3-9-4/h2-3H,1H3,(H,10,11)
InChI Key:	DXQDHJSBBMMJOY-UHFFFAOYSA-N
Boiling Point:	298 °C
Density:	1.39 g/cm³
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD11557228
LogP:	1.74160

Publication Number	Title	Priority Date
WO-2021145401-A1	Spiroheterocyclic derivatives as crhr2 antagonist	20200115
TW-201945355-A	Condensed cyclic urea derivatives as CRHR2 antagonists	20180409
WO-2019198692-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409
CN-111868037-A	Fused cyclic urea derivatives as CRHR2 antagonists	20180409
KR-20200135834-A	Condensed cyclic urea derivatives as CRHR2 antagonists	20180409

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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4