2-phenylpyridine-4-carbonitrile

C12H8N2 — CID 602036

IUPAC2-phenylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C12H8N2/c13-9-10-6-7-14-12(8-10)11-4-2-1-3-5-11/h1-8H
InChIKeyVXEVXBMHURSJRW-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.62
Rot. Bonds1

About 2-phenylpyridine-4-carbonitrile

2-phenylpyridine-4-carbonitrile (PubChem CID 602036) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-phenylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-phenylpyridine-4-carbonitrile
PubChem CID602036
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Name2-phenylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C12H8N2/c13-9-10-6-7-14-12(8-10)11-4-2-1-3-5-11/h1-8H
InChIKeyVXEVXBMHURSJRW-UHFFFAOYSA-N
XLogP2.62
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpyridine-4-carbonitrile?
The IUPAC name of 2-phenylpyridine-4-carbonitrile (CID 602036) is 2-phenylpyridine-4-carbonitrile.
What is the SMILES notation for 2-phenylpyridine-4-carbonitrile?
The canonical SMILES for 2-phenylpyridine-4-carbonitrile is N#Cc1ccnc(-c2ccccc2)c1.
What is the InChIKey of 2-phenylpyridine-4-carbonitrile?
The InChIKey is VXEVXBMHURSJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c13-9-10-6-7-14-12(8-10)11-4-2-1-3-5-11/h1-8H.
What are the key properties of 2-phenylpyridine-4-carbonitrile?
2-phenylpyridine-4-carbonitrile has a molecular weight of 180.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyridine-4-carbonitrile is sourced from PubChem (CID 602036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).