6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile

C13H10N2O2 — CID 72711416

IUPAC6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1c(-c2ccccc2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C13H10N2O2/c1-8-10(7-14)12(16)15-13(17)11(8)9-5-3-2-4-6-9/h2-6H,1H3,(H2,15,16,17)
InChIKeyYOXHPKNLTVQYJE-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.93
Rot. Bonds1

About 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile

6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 72711416) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
PubChem CID72711416
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1c(-c2ccccc2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C13H10N2O2/c1-8-10(7-14)12(16)15-13(17)11(8)9-5-3-2-4-6-9/h2-6H,1H3,(H2,15,16,17)
InChIKeyYOXHPKNLTVQYJE-UHFFFAOYSA-N
XLogP1.93
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile (CID 72711416) is 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile is Cc1c(-c2ccccc2)c(O)[nH]c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is YOXHPKNLTVQYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-10(7-14)12(16)15-13(17)11(8)9-5-3-2-4-6-9/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 72711416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).