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

C12H9BrFNO2 — CID 54724177

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Br)c(O)ccn1Cc1cccc(F)c1
InChIInChI=1S/C12H9BrFNO2/c13-11-10(16)4-5-15(12(11)17)7-8-2-1-3-9(14)6-8/h1-6,16H,7H2
InChIKeyCZBOXLZALDQGHG-UHFFFAOYSA-N
MW298.11 g/mol
LogP2.50
Rot. Bonds2

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

3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54724177) has the molecular formula C12H9BrFNO2 and a molecular weight of 298.11 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54724177
Molecular FormulaC12H9BrFNO2
Molecular Weight298.11 g/mol
Exact Mass296.98
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Br)c(O)ccn1Cc1cccc(F)c1
InChIInChI=1S/C12H9BrFNO2/c13-11-10(16)4-5-15(12(11)17)7-8-2-1-3-9(14)6-8/h1-6,16H,7H2
InChIKeyCZBOXLZALDQGHG-UHFFFAOYSA-N
XLogP2.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 52.50
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-hydroxypyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54724177) is 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Br)c(O)ccn1Cc1cccc(F)c1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is CZBOXLZALDQGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2/c13-11-10(16)4-5-15(12(11)17)7-8-2-1-3-9(14)6-8/h1-6,16H,7H2.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
3-bromo-1-[(3-fluorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 298.11 g/mol, XLogP of 2.50, 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-hydroxypyridin-2-one is sourced from PubChem (CID 54724177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).