5-Chloropyrazine-2-carbaldehyde

C5H3ClN2OCAS 88625-24-5142.54 g/mol

Open in Covalent MOL file
NNClO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2-Chloropyrimidine-5-carbaldehyde933702-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook