chempirical

4-(2-Pyridinyl)benzaldehyde

C12H9NOCAS 127406-56-8183.21 g/mol

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Aldehyde

Properties

Molecular formula
C12H9NO
Molar mass
183.21 g/mol
Exact mass
183.0684 Da
Melting point
196–198 °C
logP
2.56Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
127406-56-8
SMILES
O=Cc1ccc(-c2ccccn2)cc1
InChIKey
NMLYGLCBSFKJFI-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-9H

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Names and synonyms

6 names
  • Benzaldehyde, 4-(2-pyridinyl)-
  • 4-(2-Pyridyl)benzaldehyde
  • 2-(p-Formylphenyl)pyridine
  • 4-Pyridin-2-ylbenzaldehyde
  • 2-(4′-Formylphenyl)pyridine
  • 2-(4-Formylphenyl)pyridine

Work with 4-(2-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

2,2':6',2''-Terpyridine-4'-carbaldehyde108295-45-061 % similar 2-Phenylpyridine1008-89-557 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-855 % similar 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-353 % similar 2,4′-Bipyridine581-47-553 % similar 2-(4-Methylphenyl)pyridine4467-06-553 % similar 2-(4-Fluorophenyl)pyridine58861-53-353 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-852 % similar

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

Same formula

4-(Pyridin-3-yl)benzaldehyde127406-55-7 Phenoxazine135-67-1 4-Benzoylpyridine14548-46-0 2-(4-Pyridinyl)benzaldehyde176526-00-4 2-Methylnaphth[2,3-D]oxazole20686-66-2 3-Dibenzofuranamine4106-66-5 1-Dibenzofuranamine50548-40-8 4-Dibenzofuranamine50548-43-1

Elsewhere

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