chempirical

2-Chloropyrimidine-5-carbaldehyde

C5H3ClN2OCAS 933702-55-7142.54 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

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

Identifiers

CAS number
933702-55-7
SMILES
C1=C(C=NC(=N1)Cl)C=O
InChIKey
LJYQVOPFBNMTKJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H

Weigh it out

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

Work with 2-Chloropyrimidine-5-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-Aminopyrimidine-5-carbaldehyde120747-84-456 % similar 2-Chloropyridine-5-carbaldehyde23100-12-156 % similar 2-Methoxy-pyrimidine-5-carbaldehyde90905-32-152 % similar Pyrimidine-5-carboxaldehyde10070-92-550 % similar 2,2'-Bipyridyl-5,5'-dialdehyde135822-72-950 % similar 2-(Methylthio)-5-pyrimidinecarbaldehyde90905-31-050 % similar 2,4-Dichloropyrimidine-5-carbaldehyde871254-61-448 % similar 6-Hydroxynicotinaldehyde106984-91-245 % 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 5-Chloropyrazine-2-carbaldehyde88625-24-5

Elsewhere

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