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

C19H15FN2O2 — CID 135574061

IUPAC3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one
SMILES[H]/N=C(\c1ccccc1)c1c(O)cc(-c2cccc(F)c2)n(C)c1=O
InChIInChI=1S/C19H15FN2O2/c1-22-15(13-8-5-9-14(20)10-13)11-16(23)17(19(22)24)18(21)12-6-3-2-4-7-12/h2-11,21,23H,1H3/b21-18+
InChIKeyVKAMQMYREMORAH-DYTRJAOYSA-N
MW322.34 g/mol
LogP3.31
Rot. Bonds3

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

3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one (PubChem CID 135574061) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one
PubChem CID135574061
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one
SMILES[H]/N=C(\c1ccccc1)c1c(O)cc(-c2cccc(F)c2)n(C)c1=O
InChIInChI=1S/C19H15FN2O2/c1-22-15(13-8-5-9-14(20)10-13)11-16(23)17(19(22)24)18(21)12-6-3-2-4-7-12/h2-11,21,23H,1H3/b21-18+
InChIKeyVKAMQMYREMORAH-DYTRJAOYSA-N
XLogP3.31
TPSA66.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one?
The IUPAC name of 3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one (CID 135574061) is 3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one.
What is the SMILES notation for 3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one?
The canonical SMILES for 3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one is [H]/N=C(\c1ccccc1)c1c(O)cc(-c2cccc(F)c2)n(C)c1=O.
What is the InChIKey of 3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one?
The InChIKey is VKAMQMYREMORAH-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-22-15(13-8-5-9-14(20)10-13)11-16(23)17(19(22)24)18(21)12-6-3-2-4-7-12/h2-11,21,23H,1H3/b21-18+.
What are the key properties of 3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one?
3-(benzenecarboximidoyl)-6-(3-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one has a molecular weight of 322.34 g/mol, XLogP of 3.31, 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-fluorophenyl)-4-hydroxy-1-methylpyridin-2-one is sourced from PubChem (CID 135574061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).