4-(Pyrimidin-5-yl)benzaldehyde

C11H8N2OCAS 198084-12-7184.20 g/mol

Open in Covalent MOL file
ONN
Aldehyde

Properties

Molecular formula
C11H8N2O
Molar mass
184.20 g/mol
Exact mass
184.0637 Da
logP
1.96Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
198084-12-7
SMILES
C1=CC(=CC=C1C=O)C2=CN=CN=C2
InChIKey
BXNXTOLXLPQMHS-UHFFFAOYSA-N
InChI
InChI=1S/C11H8N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-8H

Weigh it out

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Names and synonyms

1 names
  • 5-(4-Formylphenyl)pyrimidine

Work with 4-(Pyrimidin-5-yl)benzaldehyde

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

[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-865 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-763 % similar 4-(4-Pyridinyl)benzaldehyde99163-12-963 % similar Pyrimidine-5-carboxaldehyde10070-92-560 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-258 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-856 % similar 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-354 % similar 1,4-Benzenedicarboxaldehyde623-27-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-phenyl-3-furonitrile14742-32-6 2-Pyridyl ketone19437-26-4 Fuberidazole3878-19-1 2-(Pyrimidin-5-yl)benzaldehyde640769-71-7

Elsewhere

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