6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one

C15H15FN2O2 — CID 135737603

IUPAC6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one
SMILES[H]/N=C(\CC)c1c(O)cc(-c2cccc(F)c2)n(C)c1=O
InChIInChI=1S/C15H15FN2O2/c1-3-11(17)14-13(19)8-12(18(2)15(14)20)9-5-4-6-10(16)7-9/h4-8,17,19H,3H2,1-2H3/b17-11+
InChIKeyGURWRLJBVIKYOQ-GZTJUZNOSA-N
MW274.29 g/mol
LogP2.67
Rot. Bonds3

About 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one

6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one (PubChem CID 135737603) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one.

Molecular Properties

Compound Name6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one
PubChem CID135737603
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one
SMILES[H]/N=C(\CC)c1c(O)cc(-c2cccc(F)c2)n(C)c1=O
InChIInChI=1S/C15H15FN2O2/c1-3-11(17)14-13(19)8-12(18(2)15(14)20)9-5-4-6-10(16)7-9/h4-8,17,19H,3H2,1-2H3/b17-11+
InChIKeyGURWRLJBVIKYOQ-GZTJUZNOSA-N
XLogP2.67
TPSA66.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.67
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 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one?
The IUPAC name of 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one (CID 135737603) is 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one.
What is the SMILES notation for 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one?
The canonical SMILES for 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one is [H]/N=C(\CC)c1c(O)cc(-c2cccc(F)c2)n(C)c1=O.
What is the InChIKey of 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one?
The InChIKey is GURWRLJBVIKYOQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-3-11(17)14-13(19)8-12(18(2)15(14)20)9-5-4-6-10(16)7-9/h4-8,17,19H,3H2,1-2H3/b17-11+.
What are the key properties of 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one?
6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-4-hydroxy-1-methyl-3-propanimidoylpyridin-2-one is sourced from PubChem (CID 135737603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).