5-Chloropyridine-2-carboxylic Acid - CAS 86873-60-1

Catalog:	BB038105
Product Name:	5-Chloropyridine-2-carboxylic Acid
CAS:	86873-60-1
Synonyms:	5-chloro-2-pyridinecarboxylic acid; 5-chloropyridine-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-chloropyridine-2-carboxylic acid
Description:	5-Chloropyridine-2-carboxylic Acid (CAS# 86873-60-1) is an inhibitor of dopamine β-hydroxylase and has antihypertensive activity.
Molecular Weight:	157.55
Molecular Formula:	C6H4ClNO2
Canonical SMILES:	C1=CC(=NC=C1Cl)C(=O)O
InChI:	InChI=1S/C6H4ClNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChI Key:	GJLOKYIYZIOIPN-UHFFFAOYSA-N
Boiling Point:	310.3 °C at 760 mmHg
Density:	1.47 g/cm³
MDL:	MFCD04114192
LogP:	1.43320

Publication Number	Title	Priority Date
WO-2021175959-A1	Process for the preparation of 5-chloro-3-alkylsulfanyl-pyridine-2-carboxylic acid amides and carboxylates	20200304
TW-202120479-A	Process for the preparation of 5-chloro-pyridine-2-carboxylic acids and carboxylates with 3-sulfur containing substituents	20191127
WO-2021105399-A1	Process for the preparation of 5-chloro-pyridine-2-carboxylic acids and carboxylates with 3-sulfur containing substituents	20191127
WO-2021032687-A1	Antimalarial hexahydropyrimidine analogues	20190819
WO-2020252205-A1	Inhibitors of integrated stress response pathway	20190612

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GHS Hazard Statement:	H302 (82.61%): 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:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.9930561
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.9930561
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3