6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

C13H9ClN2O — CID 5020140

IUPAC6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Cl)cc2)[nH]c(=O)c1C#N
InChIInChI=1S/C13H9ClN2O/c1-8-6-12(16-13(17)11(8)7-15)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17)
InChIKeyQLPLXCVOLQXNHH-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.88
Rot. Bonds1

About 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 5020140) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID5020140
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Cl)cc2)[nH]c(=O)c1C#N
InChIInChI=1S/C13H9ClN2O/c1-8-6-12(16-13(17)11(8)7-15)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17)
InChIKeyQLPLXCVOLQXNHH-UHFFFAOYSA-N
XLogP2.88
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 5020140) is 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(Cl)cc2)[nH]c(=O)c1C#N.
What is the InChIKey of 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is QLPLXCVOLQXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-8-6-12(16-13(17)11(8)7-15)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17).
What are the key properties of 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 244.68 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 5020140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).