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

C12H8N2O2 — CID 71182451

IUPAC5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(O)cc1-c1ccccc1
InChIInChI=1S/C12H8N2O2/c13-7-10-9(6-11(15)12(16)14-10)8-4-2-1-3-5-8/h1-6,15H,(H,14,16)
InChIKeyWPVUZEWBDQYYAU-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.62
Rot. Bonds1

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

5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile (PubChem CID 71182451) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile
PubChem CID71182451
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(O)cc1-c1ccccc1
InChIInChI=1S/C12H8N2O2/c13-7-10-9(6-11(15)12(16)14-10)8-4-2-1-3-5-8/h1-6,15H,(H,14,16)
InChIKeyWPVUZEWBDQYYAU-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 5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile (CID 71182451) is 5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)c(O)cc1-c1ccccc1.
What is the InChIKey of 5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile?
The InChIKey is WPVUZEWBDQYYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c13-7-10-9(6-11(15)12(16)14-10)8-4-2-1-3-5-8/h1-6,15H,(H,14,16).
What are the key properties of 5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile?
5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-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 5-hydroxy-6-oxo-3-phenyl-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 71182451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).