3-Chloro-pyrazine-2-carbaldehyde

C5H3ClN2OCAS 121246-96-6142.54 g/mol

Open in Covalent MOL file
NNOCl
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
121246-96-6
SMILES
C1=CN=C(C(=N1)C=O)Cl
InChIKey
QRVSQUNWTBLLOC-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H

Weigh it out

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Names and synonyms

1 names
  • 3-Chloropyrazine-2-carbaldehyde

Work with 3-Chloro-pyrazine-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-Chloro-4-iodopyridine-3-carbaldehyde153034-90-350 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-350 % similar 2,3-Dichloropyrazine4858-85-950 % similar 2,4-Dichloropyridine-3-carbaldehyde134031-24-648 % similar 2,3-Dichloropyridine-4-carboxaldehyde884495-41-448 % similar 4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-846 % similar 2-Chloro-3-fluoro-4-formylpyridine329794-28-745 % similar 4-Amino-2-chloronicotinaldehyde338452-92-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Pyrazinecarbonyl chloride19847-10-0 5-Chloropyrazine-2-carbaldehyde88625-24-5 2-Chloropyrimidine-5-carbaldehyde933702-55-7

Elsewhere

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