6-Chloro-4-pyrimidinecarboxylic acid

C₅H₃ClN₂O₂CAS 37131-91-2158.54 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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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Type any one amount. The others follow from the molar mass.

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

6-Hydroxypyrimidine-4-carboxylic acid6299-87-259 % similar 2-Chloroisonicotinic acid6313-54-851 % similar 6-Chloropicolinic acid4684-94-050 % similar 4,6-Dichloronicotinic acid73027-79-950 % similar 2,5-Dichloroisonicotinic acid88912-26-950 % similar 2,6-Dichloroisonicotinic acid5398-44-748 % similar 4,6-Dichloropyrimidine1193-21-148 % similar 5-Amino-2-chloroisonicotinic acid58483-95-747 % similar

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

Same formula

4-Chloro-3-nitropyridine13091-23-1 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 2-Chloro-5-nitropyridine4548-45-2 6-Chloro-3-pyridazinecarboxylic acid5096-73-1 2-Chloro-3-nitropyridine5470-18-8

Elsewhere

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