3-(2-Chloro-pyrimidin-4-yl)-benzaldehyde

HCID 24901965
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Basic information

Standard SMILES
O=Cc1cccc(-c2ccnc(Cl)n2)c1
InChIKey
FXROSZQWCXDZMN-UHFFFAOYSA-N
Molecular formula
C11H7ClN2O
Average molar mass
218.64 g/mol
Monoisotopic mass
218.0246905

Names & identifiers

Preferred name
3-(2-Chloro-pyrimidin-4-yl)-benzaldehyde
IUPAC
3-(2-chloropyrimidin-4-yl)benzaldehyde

Names & synonyms

3-(2-chloropyrimidin-4-yl)benzaldehyde3-(2-Chloro-pyrimidin-4-yl)-benzaldehyde859516-77-1SCHEMBL1466773SCHEMBL29607278FXROSZQWCXDZMN-UHFFFAOYSA-N

Database identifiers

PubChem CID
24901965

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
42.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Related reactions

110 records
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Compound notes

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