1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile

C13H8F2N2O — CID 58158462

IUPAC1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O/c1-8-2-3-9(7-16)13(18)17(8)12-5-4-10(14)6-11(12)15/h2-6H,1H3
InChIKeyDOFMNCSOBAPPIP-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.30
Rot. Bonds1

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

1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 58158462) has the molecular formula C13H8F2N2O and a molecular weight of 246.22 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID58158462
Molecular FormulaC13H8F2N2O
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O/c1-8-2-3-9(7-16)13(18)17(8)12-5-4-10(14)6-11(12)15/h2-6H,1H3
InChIKeyDOFMNCSOBAPPIP-UHFFFAOYSA-N
XLogP2.30
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile (CID 58158462) is 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is DOFMNCSOBAPPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O/c1-8-2-3-9(7-16)13(18)17(8)12-5-4-10(14)6-11(12)15/h2-6H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile?
1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 246.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 58158462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).