4-(Pyridin-3-yl)benzaldehyde

C12H9NOCAS 127406-55-7183.21 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
127406-55-7
SMILES
C1=CC(=CN=C1)C2=CC=C(C=C2)C=O
InChIKey
NXZUVHZZIZHEOP-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-(Pyridin-3-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

4-(Pyrimidin-5-yl)benzaldehyde198084-12-763 % similar Pyridine-3-carbaldehyde500-22-162 % similar 4-(4-Pyridinyl)benzaldehyde99163-12-962 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-861 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-858 % similar 3-Phenylpyridine1008-88-457 % similar 3-(4-Bromophenyl)pyridine129013-83-853 % similar 4-(Pyridin-3-yl)aniline82261-42-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 3-Dibenzofuranamine4106-66-5

Elsewhere

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