chempirical

4-(4-Pyridinyl)benzaldehyde

C12H9NOCAS 99163-12-9183.21 g/mol

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Aldehyde

Properties

Molecular formula
C12H9NO
Molar mass
183.21 g/mol
Exact mass
183.0684 Da
logP
2.56Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
99163-12-9
SMILES
C1=CC(=CC=C1C=O)C2=CC=NC=C2
InChIKey
MBJXDIYHLGBQOT-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-9H

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Names and synonyms

1 names
  • 4-(4-Pyridyl)benzaldehyde

Work with 4-(4-Pyridinyl)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

Pyridine-4-carbaldehyde872-85-573 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-871 % similar 4-(Pyrimidin-5-yl)benzaldehyde198084-12-763 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-263 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-860 % similar 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-358 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-757 % similar 1,4-Benzenedicarboxaldehyde623-27-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Pyridin-3-yl)benzaldehyde127406-55-7 4-(2-Pyridinyl)benzaldehyde127406-56-8 3-(3-Pyridyl)benzaldehyde131231-24-8 Phenoxazine135-67-1 4-Benzoylpyridine14548-46-0 2-(4-Pyridinyl)benzaldehyde176526-00-4 2-Methylnaphth[2,3-d]oxazole20686-66-2 3-(Pyridin-4-yl)benzaldehyde208190-04-9

Elsewhere

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