chempirical

3-Phenylpyridine

C11H9NCAS 1008-88-4155.20 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C11H9N
Molar mass
155.20 g/mol
Exact mass
155.0735 Da
Melting point
164 °C
Boiling point
272 °C
logP
2.75Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
1008-88-4
SMILES
c1ccc(-c2cccnc2)cc1
InChIKey
HJKGBRPNSJADMB-UHFFFAOYSA-N
InChI
InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H

Weigh it out

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

Names and synonyms

4 names
  • Pyridine, 3-phenyl-
  • m-Phenylpyridine
  • β-Phenylpyridine
  • 5-Phenylpyridine

Work with 3-Phenylpyridine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Tri(M-pyrid-3-ylphenyl)benzene921205-03-065 % similar 3-(4-Bromophenyl)pyridine129013-83-864 % similar 2,3′-Bipyridine581-50-058 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-757 % similar B-[4-(3-Pyridinyl)phenyl]boronic acid170230-28-157 % similar 3-Methylpyridine108-99-650 % similar 3-(1H-Imidazol-5-yl)pyridine51746-85-150 % similar 3-Benzylpyridine620-95-150 % similar

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

Same formula

2-Phenylpyridine1008-89-5 4-Phenylpyridine939-23-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook