chempirical

2-Pyrazinecarbonyl chloride

C5H3ClN2OCAS 19847-10-0142.54 g/mol

Open in Covalent MOL file
OClNN
Acyl halide

Properties

Molecular formula
C5H3ClN2O
Molar mass
142.54 g/mol
Exact mass
141.9934 Da
Melting point
59–61 °C
logP
0.86Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
19847-10-0
SMILES
O=C(Cl)c1cnccn1
InChIKey
TXJKATOSKLUITR-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O/c6-5(9)4-3-7-1-2-8-4/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Pyrazinecarbonyl chloride
  • Pyrazinoyl chloride
  • Pyrazine-2-carboxylic acid chloride
  • Pyrazinoic acid chloride

Work with 2-Pyrazinecarbonyl chloride

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

Acetylpyrazine22047-25-253 % similar Pyrazinoic acid98-97-553 % similar Methyl 2-pyrazinecarboxylate6164-79-048 % similar Pyrazinamide98-96-444 % similar 2,6-Pyridinedicarbonyl dichloride3739-94-443 % similar Nicotinic acid chloride hydrochloride20260-53-143 % similar Pyrazine-2-carboximidamide monohydrochloride138588-41-741 % similar Pyrazinoic acid hydrazide768-05-840 % similar

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

Same formula

3-Chloro-pyrazine-2-carbaldehyde121246-96-6

Elsewhere

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