chempirical

3-(3-Pyridyl)benzaldehyde

C12H9NOCAS 131231-24-8183.21 g/mol

Open in Covalent MOL file
NO
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

Identifiers

CAS number
131231-24-8
SMILES
C1=CC(=CC(=C1)C2=CN=CC=C2)C=O
InChIKey
UJPFNRWGFPAZMO-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO/c14-9-10-3-1-4-11(7-10)12-5-2-6-13-8-12/h1-9H

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Names and synonyms

1 names
  • 3-(Pyridin-3-yl)benzaldehyde

Work with 3-(3-Pyridyl)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-3-carbaldehyde500-22-163 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-061 % similar 1,3,5-Tri(M-pyrid-3-ylphenyl)benzene921205-03-060 % similar 3-(4-Methylphenyl)benzaldehyde116470-54-353 % similar 3′,4′-Dimethyl[1,1′-biphenyl]-3-carboxaldehyde343604-07-951 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-550 % similar 3-(3-Methoxyphenyl)benzaldehyde126485-58-350 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-749 % 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 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

Elsewhere

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