4-Phenylpyridine

C11H9NCAS 939-23-1155.20 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
77.5 °C
Boiling point
281 °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 42 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
939-23-1
SMILES
c1ccc(-c2ccncc2)cc1
InChIKey
JVZRCNQLWOELDU-UHFFFAOYSA-N
InChI
InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H

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

Names and synonyms

5 names
  • Pyridine, 4-phenyl-
  • p-Phenylpyridine
  • γ-Phenylpyridine
  • NSC 70375
  • NSC 77935

Work with 4-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

4,4′-Bipyridine553-26-473 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-769 % similar 1,3,5-Tris(4-pyridyl)benzene170165-84-161 % similar Biphenyl92-52-460 % similar 4,4'-(Anthracene-9,10-diyl)dipyridine194861-72-857 % similar para-Quaterphenyl135-70-656 % similar Azulene275-51-456 % similar P-Quinquephenyl3073-05-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Phenylpyridine1008-88-4 2-Phenylpyridine1008-89-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook