2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile

C17H11N3O — CID 130447976

IUPAC2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccn2)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H11N3O/c18-12-13-9-10-16(15-8-4-5-11-19-15)20(17(13)21)14-6-2-1-3-7-14/h1-11H
InChIKeyKHJJYIZRFOMPEB-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.77
Rot. Bonds2

About 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile

2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile (PubChem CID 130447976) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile
PubChem CID130447976
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccn2)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H11N3O/c18-12-13-9-10-16(15-8-4-5-11-19-15)20(17(13)21)14-6-2-1-3-7-14/h1-11H
InChIKeyKHJJYIZRFOMPEB-UHFFFAOYSA-N
XLogP2.77
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile
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9-[4-[12-(4,6-diphenylpyrimidin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(3,5-dipyridin-2-ylphenyl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile (CID 130447976) is 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile is N#Cc1ccc(-c2ccccn2)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile?
The InChIKey is KHJJYIZRFOMPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c18-12-13-9-10-16(15-8-4-5-11-19-15)20(17(13)21)14-6-2-1-3-7-14/h1-11H.
What are the key properties of 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile?
2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile has a molecular weight of 273.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 130447976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).