2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile

C12H8N2O2 — CID 4770423

IUPAC2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(=O)[nH]c1O
InChIInChI=1S/C12H8N2O2/c13-7-10-9(6-11(15)14-12(10)16)8-4-2-1-3-5-8/h1-6H,(H2,14,15,16)
InChIKeyRKCOTKNKKXMGTC-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.62
Rot. Bonds1

About 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile

2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 4770423) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile
PubChem CID4770423
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(=O)[nH]c1O
InChIInChI=1S/C12H8N2O2/c13-7-10-9(6-11(15)14-12(10)16)8-4-2-1-3-5-8/h1-6H,(H2,14,15,16)
InChIKeyRKCOTKNKKXMGTC-UHFFFAOYSA-N
XLogP1.62
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile
CID 12425535
5-benzyl-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 50888827
4-benzyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 72711415
6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 72711416
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile
CID 489607
5,6-Dimethyl-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 778122
4-Phenyl-6-hydroxy 2-pyridone
CID 12402924
a-Cyanocinnamamide
CID 14245969
4-(2-Fluorophenyl)-2-hydroxy-6-methoxypyridine-3,5-dicarbonitrile
CID 17852075
4-(2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 22647979
5-(2-fluorophenyl)-6-hydroxy-4-methyl-1H-pyridin-2-one
CID 91483461
5-fluoro-6-oxo-4-phenyl-2-sulfanyl-1H-pyridine-3-carbonitrile
CID 135187771

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile (CID 4770423) is 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(=O)[nH]c1O.
What is the InChIKey of 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is RKCOTKNKKXMGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c13-7-10-9(6-11(15)14-12(10)16)8-4-2-1-3-5-8/h1-6H,(H2,14,15,16).
What are the key properties of 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 212.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 4770423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).