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

C12H8N2O2 — CID 817466

IUPAC6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)c(O)[nH]c1=O
InChIInChI=1S/C12H8N2O2/c13-7-9-6-10(12(16)14-11(9)15)8-4-2-1-3-5-8/h1-6H,(H2,14,15,16)
InChIKeyZGXFKVQVZHBJDN-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.62
Rot. Bonds1

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

6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 817466) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
PubChem CID817466
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)c(O)[nH]c1=O
InChIInChI=1S/C12H8N2O2/c13-7-9-6-10(12(16)14-11(9)15)8-4-2-1-3-5-8/h1-6H,(H2,14,15,16)
InChIKeyZGXFKVQVZHBJDN-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile (CID 817466) is 6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile is N#Cc1cc(-c2ccccc2)c(O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is ZGXFKVQVZHBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c13-7-9-6-10(12(16)14-11(9)15)8-4-2-1-3-5-8/h1-6H,(H2,14,15,16).
What are the key properties of 6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile?
6-hydroxy-2-oxo-5-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 6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 817466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).