2-oxo-1-phenylpyridine-3,5-dicarbonitrile

C13H7N3O — CID 53306487

IUPAC2-oxo-1-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(=O)n(-c2ccccc2)c1
InChIInChI=1S/C13H7N3O/c14-7-10-6-11(8-15)13(17)16(9-10)12-4-2-1-3-5-12/h1-6,9H
InChIKeyFDSXJRBDRZVFLE-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.58
Rot. Bonds1

About 2-oxo-1-phenylpyridine-3,5-dicarbonitrile

2-oxo-1-phenylpyridine-3,5-dicarbonitrile (PubChem CID 53306487) has the molecular formula C13H7N3O and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-oxo-1-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-oxo-1-phenylpyridine-3,5-dicarbonitrile
PubChem CID53306487
Molecular FormulaC13H7N3O
Molecular Weight221.22 g/mol
Exact Mass221.06
IUPAC Name2-oxo-1-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(=O)n(-c2ccccc2)c1
InChIInChI=1S/C13H7N3O/c14-7-10-6-11(8-15)13(17)16(9-10)12-4-2-1-3-5-12/h1-6,9H
InChIKeyFDSXJRBDRZVFLE-UHFFFAOYSA-N
XLogP1.58
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-oxo-1-phenylpyridine-3-carbonitrile
CID 82043803
5-cyano-2-oxo-1-phenylpyridine-3-carboxylic acid
CID 53306638
2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile
CID 22318990
3-oxo-2-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 82119298
methyl 5-(2-cyanophenyl)-6-oxo-1-phenylpyridine-3-carboxylate
CID 22319231
2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride
CID 23650677
CID 175689737
CID 175689737
7-oxocyclohepta-1,3,5-triene-1-carbonitrile
CID 582961
2-[2-oxo-1-phenyl-5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]benzonitrile
CID 22319134
2-[(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)amino]benzonitrile
CID 22319143
4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 145128598
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 3613028

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-oxo-1-phenylpyridine-3,5-dicarbonitrile (CID 53306487) is 2-oxo-1-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-oxo-1-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-oxo-1-phenylpyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(=O)n(-c2ccccc2)c1.
What is the InChIKey of 2-oxo-1-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is FDSXJRBDRZVFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O/c14-7-10-6-11(8-15)13(17)16(9-10)12-4-2-1-3-5-12/h1-6,9H.
What are the key properties of 2-oxo-1-phenylpyridine-3,5-dicarbonitrile?
2-oxo-1-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 221.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 53306487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).