6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

C13H9ClN2O — CID 1488322

IUPAC6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O
InChIInChI=1S/C13H9ClN2O/c1-16-12(7-4-10(8-15)13(16)17)9-2-5-11(14)6-3-9/h2-7H,1H3
InChIKeyIWXSTGCZEMQTGC-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.58
Rot. Bonds1

About 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 1488322) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID1488322
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O
InChIInChI=1S/C13H9ClN2O/c1-16-12(7-4-10(8-15)13(16)17)9-2-5-11(14)6-3-9/h2-7H,1H3
InChIKeyIWXSTGCZEMQTGC-UHFFFAOYSA-N
XLogP2.58
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (CID 1488322) is 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is Cn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is IWXSTGCZEMQTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-16-12(7-4-10(8-15)13(16)17)9-2-5-11(14)6-3-9/h2-7H,1H3.
What are the key properties of 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 244.68 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 1488322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).