3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one

C19H14F2N2O2 — CID 135731711

IUPAC3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one
SMILES[H]/N=C(\c1ccccc1)c1c(O)cc(-c2ccc(F)c(F)c2)n(C)c1=O
InChIInChI=1S/C19H14F2N2O2/c1-23-15(12-7-8-13(20)14(21)9-12)10-16(24)17(19(23)25)18(22)11-5-3-2-4-6-11/h2-10,22,24H,1H3/b22-18+
InChIKeyUMMVVWBLLFPUNA-RELWKKBWSA-N
MW340.33 g/mol
LogP3.45
Rot. Bonds3

About 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one

3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one (PubChem CID 135731711) has the molecular formula C19H14F2N2O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one
PubChem CID135731711
Molecular FormulaC19H14F2N2O2
Molecular Weight340.33 g/mol
Exact Mass340.10
IUPAC Name3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one
SMILES[H]/N=C(\c1ccccc1)c1c(O)cc(-c2ccc(F)c(F)c2)n(C)c1=O
InChIInChI=1S/C19H14F2N2O2/c1-23-15(12-7-8-13(20)14(21)9-12)10-16(24)17(19(23)25)18(22)11-5-3-2-4-6-11/h2-10,22,24H,1H3/b22-18+
InChIKeyUMMVVWBLLFPUNA-RELWKKBWSA-N
XLogP3.45
TPSA66.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one 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 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one?
The IUPAC name of 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one (CID 135731711) is 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one.
What is the SMILES notation for 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one?
The canonical SMILES for 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one is [H]/N=C(\c1ccccc1)c1c(O)cc(-c2ccc(F)c(F)c2)n(C)c1=O.
What is the InChIKey of 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one?
The InChIKey is UMMVVWBLLFPUNA-RELWKKBWSA-N. The full InChI is InChI=1S/C19H14F2N2O2/c1-23-15(12-7-8-13(20)14(21)9-12)10-16(24)17(19(23)25)18(22)11-5-3-2-4-6-11/h2-10,22,24H,1H3/b22-18+.
What are the key properties of 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one?
3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one has a molecular weight of 340.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenecarboximidoyl)-6-(3,4-difluorophenyl)-4-hydroxy-1-methylpyridin-2-one is sourced from PubChem (CID 135731711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).