1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

C16H18FNO2 — CID 54687292

IUPAC1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESCCCCn1ccc(O)c(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C16H18FNO2/c1-2-3-9-18-10-8-15(19)14(16(18)20)11-12-4-6-13(17)7-5-12/h4-8,10,19H,2-3,9,11H2,1H3
InChIKeyBPGSZOAGSRWDLA-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.08
Rot. Bonds5

About 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54687292) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54687292
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESCCCCn1ccc(O)c(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C16H18FNO2/c1-2-3-9-18-10-8-15(19)14(16(18)20)11-12-4-6-13(17)7-5-12/h4-8,10,19H,2-3,9,11H2,1H3
InChIKeyBPGSZOAGSRWDLA-UHFFFAOYSA-N
XLogP3.08
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54687292) is 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is CCCCn1ccc(O)c(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is BPGSZOAGSRWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-3-9-18-10-8-15(19)14(16(18)20)11-12-4-6-13(17)7-5-12/h4-8,10,19H,2-3,9,11H2,1H3.
What are the key properties of 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 275.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54687292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).