3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one

C15H14FNO3 — CID 167600721

IUPAC3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCC(=O)c1c(O)c(-c2ccc(F)cc2)c(C)n(C)c1=O
InChIInChI=1S/C15H14FNO3/c1-8-12(10-4-6-11(16)7-5-10)14(19)13(9(2)18)15(20)17(8)3/h4-7,19H,1-3H3
InChIKeyFOGQRTYKWZVSPZ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.41
Rot. Bonds2

About 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one

3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 167600721) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID167600721
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCC(=O)c1c(O)c(-c2ccc(F)cc2)c(C)n(C)c1=O
InChIInChI=1S/C15H14FNO3/c1-8-12(10-4-6-11(16)7-5-10)14(19)13(9(2)18)15(20)17(8)3/h4-7,19H,1-3H3
InChIKeyFOGQRTYKWZVSPZ-UHFFFAOYSA-N
XLogP2.41
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one (CID 167600721) is 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one is CC(=O)c1c(O)c(-c2ccc(F)cc2)c(C)n(C)c1=O.
What is the InChIKey of 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is FOGQRTYKWZVSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-8-12(10-4-6-11(16)7-5-10)14(19)13(9(2)18)15(20)17(8)3/h4-7,19H,1-3H3.
What are the key properties of 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 275.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-(4-fluorophenyl)-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 167600721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).