2-chloropyrimidine-4-carboxylic acid - CAS 149849-92-3

Name: 2-chloropyrimidine-4-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010455
Product Name:	2-chloropyrimidine-4-carboxylic acid
CAS:	149849-92-3
Synonyms:	2-chloro-4-pyrimidinecarboxylic acid; 2-chloropyrimidine-4-carboxylic acid

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Computed Properties

IUPAC Name:	2-chloropyrimidine-4-carboxylic acid
Description:	2-chloropyrimidine-4-carboxylic acid (CAS# 149849-92-3) is a useful research chemical.
Molecular Weight:	158.54
Molecular Formula:	C5H3ClN2O2
Canonical SMILES:	C1=CN=C(N=C1C(=O)O)Cl
InChI:	InChI=1S/C5H3ClN2O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)
InChI Key:	YMDSUQSBJRDYLI-UHFFFAOYSA-N
Boiling Point:	273 °C at 760 mmHg
Purity:	95+ %
Density:	1.579 g/cm³
MDL:	MFCD06739041
LogP:	0.82820

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

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GHS Hazard Statement:	H302 (50%): 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

Publication Number	Title	Priority Date
CN-112794860-A	Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application	20210324
CN-112794860-B	Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application	20210324
CN-112979559-A	2-phenyl pyrimidine formic acid derivative and preparation method and application thereof	20210308
CN-111393376-A	Synthetic method of 2-chloropyrimidine-4-formic acid	20200511
WO-2021207186-A1	Cd38 inhibitors	20200407

Complexity:	142
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:	1