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

C13H11BrFNO2 — CID 170763345

IUPAC1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1Cc1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFNO2/c1-8-4-10(17)6-13(18)16(8)7-9-2-3-11(14)12(15)5-9/h2-6,17H,7H2,1H3
InChIKeyUQCBOPIDVBUNAR-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.81
Rot. Bonds2

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

1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 170763345) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID170763345
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1Cc1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFNO2/c1-8-4-10(17)6-13(18)16(8)7-9-2-3-11(14)12(15)5-9/h2-6,17H,7H2,1H3
InChIKeyUQCBOPIDVBUNAR-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 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 170763345) is 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1Cc1ccc(Br)c(F)c1.
What is the InChIKey of 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is UQCBOPIDVBUNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-8-4-10(17)6-13(18)16(8)7-9-2-3-11(14)12(15)5-9/h2-6,17H,7H2,1H3.
What are the key properties of 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-[(4-bromo-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 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 170763345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).