6-phenylpyridine-3-carbonitrile

C12H8N2 — CID 12576518

IUPAC6-phenylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C12H8N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H
InChIKeyOSRYUVXCTNUGRM-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.62
Rot. Bonds1

About 6-phenylpyridine-3-carbonitrile

6-phenylpyridine-3-carbonitrile (PubChem CID 12576518) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-phenylpyridine-3-carbonitrile
PubChem CID12576518
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Name6-phenylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C12H8N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H
InChIKeyOSRYUVXCTNUGRM-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 6-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-phenylpyridine-3-carbonitrile (CID 12576518) is 6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-phenylpyridine-3-carbonitrile is N#Cc1ccc(-c2ccccc2)nc1.
What is the InChIKey of 6-phenylpyridine-3-carbonitrile?
The InChIKey is OSRYUVXCTNUGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H.
What are the key properties of 6-phenylpyridine-3-carbonitrile?
6-phenylpyridine-3-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 6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 12576518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).