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

Hazards

Danger
Corrosive (GHS05)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

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 Picolinoyl chloride hydrochloride39901-94-548 % similar Methyl 2-pyrazinecarboxylate6164-79-048 % similar 5-Bromopyridine-2-carbonyl chloride137178-88-244 % similar Pyrazinamide98-96-444 % similar 2,6-Pyridinedicarbonyl dichloride3739-94-443 % similar Nicotinic acid chloride hydrochloride20260-53-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-pyrazine-2-carbaldehyde121246-96-6 5-Chloropyrazine-2-carbaldehyde88625-24-5 2-Chloropyrimidine-5-carbaldehyde933702-55-7

Elsewhere

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