5-Chloropyrimidine-2-carboxylic Acid - CAS 38275-61-5

Catalog:	BB023611
Product Name:	5-Chloropyrimidine-2-carboxylic Acid
CAS:	38275-61-5
Synonyms:	5-chloro-2-pyrimidinecarboxylic acid; 5-chloropyrimidine-2-carboxylic acid

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Computed Properties

IUPAC Name:	5-chloropyrimidine-2-carboxylic acid
Description:	5-Chloropyrimidine-2-carboxylic Acid (CAS# 38275-61-5) is a useful research chemical.
Molecular Weight:	158.54
Molecular Formula:	C5H3ClN2O2
Canonical SMILES:	C1=C(C=NC(=N1)C(=O)O)Cl
InChI:	InChI=1S/C5H3ClN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,(H,9,10)
InChI Key:	QAHZTYHFUHDFAW-UHFFFAOYSA-N
LogP:	0.82820

Publication Number	Title	Priority Date
WO-2021032687-A1	Antimalarial hexahydropyrimidine analogues	20190819
CN-111825657-A	Dual-function chimeric heterocyclic compound for targeted degradation of androgen receptor and application thereof	20190418
WO-2020211822-A1	A class of bifunctional chimeric heterocyclic compounds for targeted degradation of androgen receptors and use thereof	20190418
WO-2020085234-A1	Morphinan derivative	20181022
US-2020048242-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180809

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Carbonyl Compounds

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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:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.9883050
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.9883050
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7