6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one

C13H12FNO2 — CID 118717077

IUPAC6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(Cc2cccc(F)c2)n(O)c(=O)c1
InChIInChI=1S/C13H12FNO2/c1-9-5-12(15(17)13(16)6-9)8-10-3-2-4-11(14)7-10/h2-7,17H,8H2,1H3
InChIKeyPSXPUUILDSBWEJ-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.12
Rot. Bonds2

About 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one

6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one (PubChem CID 118717077) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one
PubChem CID118717077
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(Cc2cccc(F)c2)n(O)c(=O)c1
InChIInChI=1S/C13H12FNO2/c1-9-5-12(15(17)13(16)6-9)8-10-3-2-4-11(14)7-10/h2-7,17H,8H2,1H3
InChIKeyPSXPUUILDSBWEJ-UHFFFAOYSA-N
XLogP2.12
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one (CID 118717077) is 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one is Cc1cc(Cc2cccc(F)c2)n(O)c(=O)c1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is PSXPUUILDSBWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-9-5-12(15(17)13(16)6-9)8-10-3-2-4-11(14)7-10/h2-7,17H,8H2,1H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one?
6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 233.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 118717077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).