2-phenoxy-4-phenylpyridine-3-carbonitrile

C18H12N2O — CID 1488776

IUPAC2-phenoxy-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccnc1Oc1ccccc1
InChIInChI=1S/C18H12N2O/c19-13-17-16(14-7-3-1-4-8-14)11-12-20-18(17)21-15-9-5-2-6-10-15/h1-12H
InChIKeyRMHVGGRTGKIOQK-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.41
Rot. Bonds3

About 2-phenoxy-4-phenylpyridine-3-carbonitrile

2-phenoxy-4-phenylpyridine-3-carbonitrile (PubChem CID 1488776) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-phenoxy-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-phenoxy-4-phenylpyridine-3-carbonitrile
PubChem CID1488776
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name2-phenoxy-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccnc1Oc1ccccc1
InChIInChI=1S/C18H12N2O/c19-13-17-16(14-7-3-1-4-8-14)11-12-20-18(17)21-15-9-5-2-6-10-15/h1-12H
InChIKeyRMHVGGRTGKIOQK-UHFFFAOYSA-N
XLogP4.41
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-phenoxy-4-phenylpyridine-3-carbonitrile (CID 1488776) is 2-phenoxy-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-phenoxy-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-phenoxy-4-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)ccnc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-4-phenylpyridine-3-carbonitrile?
The InChIKey is RMHVGGRTGKIOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c19-13-17-16(14-7-3-1-4-8-14)11-12-20-18(17)21-15-9-5-2-6-10-15/h1-12H.
What are the key properties of 2-phenoxy-4-phenylpyridine-3-carbonitrile?
2-phenoxy-4-phenylpyridine-3-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1488776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).