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

C12H8N2O — CID 1484464

IUPAC2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C12H8N2O/c13-8-11-10(6-7-14-12(11)15)9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChIKeyUIDTXRAXSRKTKL-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.91
Rot. Bonds1

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

2-oxo-4-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 1484464) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-oxo-4-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
PubChem CID1484464
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C12H8N2O/c13-8-11-10(6-7-14-12(11)15)9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChIKeyUIDTXRAXSRKTKL-UHFFFAOYSA-N
XLogP1.91
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-phenyl-1H-pyridine-3-carbonitrile (CID 1484464) is 2-oxo-4-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-phenyl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc[nH]c1=O.
What is the InChIKey of 2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is UIDTXRAXSRKTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c13-8-11-10(6-7-14-12(11)15)9-4-2-1-3-5-9/h1-7H,(H,14,15).
What are the key properties of 2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
2-oxo-4-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 196.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1484464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).