5-Chloro-2-pyrazinecarboxylic acid

C₅H₃ClN₂O₂CAS 36070-80-1158.54 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
Melting point: 153 °C (decomposes)
logP: 0.83Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

36070-80-1

SMILES

O=C(O)c1cnc(Cl)cn1

InChIKey

FXJOTWLLDJYKAG-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)

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

Names and synonyms

3 names

2-Pyrazinecarboxylic acid, 5-chloro-
Pyrazinecarboxylic acid, 5-chloro-
5-Chloropyrazinoic acid

Work with 5-Chloro-2-pyrazinecarboxylic 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

2,5-Pyrazinedicarboxylic acid122-05-472 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-156 % similar 6-Chloronicotinic acid5326-23-855 % similar 6-Chloropicolinic acid4684-94-052 % similar 5-Methoxy-2-pyrazinecarboxylic acid40155-42-851 % similar 4,6-Dichloronicotinic acid73027-79-951 % similar 2,5-Dichloroisonicotinic acid88912-26-951 % similar Pyrazinoic acid98-97-550 % similar

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

Same formula

4-Chloro-3-nitropyridine13091-23-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2 2-Chloro-5-nitropyridine4548-45-2 6-Chloro-3-pyridazinecarboxylic acid5096-73-1 2-Chloro-3-nitropyridine5470-18-8

Elsewhere

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