5-Chloropyrazine-2-carbaldehyde

C₅H₃ClN₂OCAS 88625-24-5142.54 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₃ClN₂O
Molar mass: 142.54 g/mol
Exact mass: 141.9934 Da
logP: 0.94Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

88625-24-5

SMILES

C1=C(N=CC(=N1)Cl)C=O

InChIKey

UIKDIRUDGAKSGG-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O/c6-5-2-7-4(3-9)1-8-5/h1-3H

Weigh it out

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

Work with 5-Chloropyrazine-2-carbaldehyde

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-Dichloropyrazine19745-07-455 % similar 5-Methylpyrazine-2-carboxaldehyde50866-30-352 % similar 2-Chloropyridine-5-carbaldehyde23100-12-150 % similar 5-Chloropyridine-2-carboxaldehyde31181-89-250 % similar 4,6-Dichloropyridine-3-carbaldehyde1060811-62-247 % similar 6-Chloropyridine-2-carbaldehyde54087-03-547 % similar Pyrazine-2-carbaldehyde5780-66-545 % similar 5-Chloro-2-pyrazinamine33332-29-541 % similar

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

Same formula

3-Chloro-pyrazine-2-carbaldehyde121246-96-6 2-Pyrazinecarbonyl chloride19847-10-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook