5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile

C14H12N2O — CID 778122

IUPAC5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(-c2ccccc2)c1C
InChIInChI=1S/C14H12N2O/c1-9-10(2)16-14(17)12(8-15)13(9)11-6-4-3-5-7-11/h3-7H,1-2H3,(H,16,17)
InChIKeyGLBJGFUREMLSNH-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.53
Rot. Bonds1

About 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile

5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 778122) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
PubChem CID778122
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(-c2ccccc2)c1C
InChIInChI=1S/C14H12N2O/c1-9-10(2)16-14(17)12(8-15)13(9)11-6-4-3-5-7-11/h3-7H,1-2H3,(H,16,17)
InChIKeyGLBJGFUREMLSNH-UHFFFAOYSA-N
XLogP2.53
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile (CID 778122) is 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(-c2ccccc2)c1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is GLBJGFUREMLSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-10(2)16-14(17)12(8-15)13(9)11-6-4-3-5-7-11/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 778122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).