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6-Chloro-4-methylpyridine-2-carboxylic Acid

6-Chloro-4-methylpyridine-2-carboxylic Acid - CAS 324028-95-7

Catalog:	BB021281
Product Name:	6-Chloro-4-methylpyridine-2-carboxylic Acid
CAS:	324028-95-7
Synonyms:	6-chloro-4-methyl-2-pyridinecarboxylic acid; 6-chloro-4-methylpyridine-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-chloro-4-methylpyridine-2-carboxylic acid
Description:	6-Chloro-4-methylpyridine-2-carboxylic Acid (CAS# 324028-95-7) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	CC1=CC(=NC(=C1)Cl)C(=O)O
InChI:	InChI=1S/C7H6ClNO2/c1-4-2-5(7(10)11)9-6(8)3-4/h2-3H,1H3,(H,10,11)
InChI Key:	IDIRHQNTRMGBPJ-UHFFFAOYSA-N
Boiling Point:	341.8 °C at 760 mmHg
Density:	1.39 g/cm³
Appearance:	Off white solid
MDL:	MFCD09834827
LogP:	1.74160

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WO-2021207186-A1	Cd38 inhibitors	20200407
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	2