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

C13H11BrFNO2 — CID 54724200

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(Br)c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C13H11BrFNO2/c1-8-5-11(17)12(14)13(18)16(8)7-9-3-2-4-10(15)6-9/h2-6,17H,7H2,1H3
InChIKeyKOKKQDUXLZIYSR-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.81
Rot. Bonds2

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

3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54724200) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54724200
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(Br)c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C13H11BrFNO2/c1-8-5-11(17)12(14)13(18)16(8)7-9-3-2-4-10(15)6-9/h2-6,17H,7H2,1H3
InChIKeyKOKKQDUXLZIYSR-UHFFFAOYSA-N
XLogP2.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 54724200) is 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)c(Br)c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is KOKKQDUXLZIYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-8-5-11(17)12(14)13(18)16(8)7-9-3-2-4-10(15)6-9/h2-6,17H,7H2,1H3.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 312.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54724200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).