6-Chloro-4-pyrimidinecarboxylic acid

C5H3ClN2O2CAS 37131-91-2158.54 g/mol

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OHOClNN
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.

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Identifiers

CAS number
37131-91-2
SMILES
O=C(O)c1cc(Cl)ncn1
InChIKey
RWSPRTBXAXZIOS-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O2/c6-4-1-3(5(9)10)7-2-8-4/h1-2H,(H,9,10)

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Names and synonyms

1 names
  • 4-Pyrimidinecarboxylic acid, 6-chloro-

Work with 6-Chloro-4-pyrimidinecarboxylic 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

4,6-Pyrimidine dicarboxylic acid16490-02-170 % similar 6-Hydroxypyrimidine-4-carboxylic acid6299-87-259 % similar Methyl 6-chloropyrimidine-4-carboxylate6627-22-153 % similar 4-Chloropyridine-2-carboxylic acid5470-22-451 % similar 2-Chloroisonicotinic acid6313-54-851 % similar 4,6-Dichloro-2-pyridinecarboxylic acid88912-25-851 % similar 6-Chloropicolinic acid4684-94-050 % similar 6-Chloropyridazine-3-carboxylic Acid5096-73-150 % 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 2-Chloropyrimidine-5-carboxylic acid374068-01-6

Elsewhere

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