chempirical

2-Chloropyrimidine-5-carboxylic acid

C5H3ClN2O2CAS 374068-01-6158.54 g/mol

Open in Covalent MOL file
NNClOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H3ClN2O2
Molar mass
158.54 g/mol
Exact mass
157.9883 Da
logP
0.83Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
374068-01-6
SMILES
C1=C(C=NC(=N1)Cl)C(=O)O
InChIKey
DUCXUPKLVVSJKA-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)

Weigh it out

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Work with 2-Chloropyrimidine-5-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylpyrimidine-5-carboxylic acid5194-32-161 % similar 6-Chloronicotinic acid5326-23-860 % similar 5-Pyrimidinecarboxylic acid4595-61-358 % similar 5,6-Dichloronicotinic acid41667-95-256 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-855 % similar 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid306960-77-055 % similar 2,5-Pyridinedicarboxylic acid100-26-553 % similar 5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-3-nitropyridine13091-23-1 2-Chloropyrimidine-4-carboxylic acid149849-92-3 2-Chloro-4-nitropyridine23056-36-2 6-Chloropyrazine-2-carboxylic acid23688-89-3 3-Chloro-2-pyrazine-carboxylic acid27398-39-6 2-Chloro-3-nitropyridine34515-82-7 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2

Elsewhere

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