Pyrazine-2-carbaldehyde

C5H4N2OCAS 5780-66-5108.10 g/mol

Open in Covalent MOL file
NNO
Aldehyde

Properties

Molecular formula
C5H4N2O
Molar mass
108.10 g/mol
Exact mass
108.0324 Da
logP
0.29Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
5780-66-5
SMILES
C1=CN=C(C=N1)C=O
InChIKey
DXBWJLDFSICTIH-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-4H

Weigh it out

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Work with 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

Vinylpyrazine4177-16-654 % similar Pyridine-2-carbaldehyde1121-60-448 % similar 5-Methylpyrazine-2-carboxaldehyde50866-30-345 % similar 5-Chloropyrazine-2-carbaldehyde88625-24-545 % similar 4-Bromopyridine-2-carbaldehyde131747-63-242 % similar 4-Methylpyridine-2-carbaldehyde53547-60-742 % similar 4-Chloropicolinaldehyde63071-13-642 % similar Pyridine-3-carbaldehyde500-22-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrimidine-5-carboxaldehyde10070-92-5 Pyrimidine-4-carboxaldehyde2435-50-9 2-Pyrimidinecarboxaldehyde27427-92-5 Pyridazine-4-carbaldehyde50901-42-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook