1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one

C12H9BrFNO — CID 141454449

IUPAC1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(Br)cc2F)c1
InChIInChI=1S/C12H9BrFNO/c1-8-2-5-12(16)15(7-8)11-4-3-9(13)6-10(11)14/h2-7H,1H3
InChIKeyUQGLPMFYRJLXAF-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.05
Rot. Bonds1

About 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one

1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one (PubChem CID 141454449) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one
PubChem CID141454449
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(Br)cc2F)c1
InChIInChI=1S/C12H9BrFNO/c1-8-2-5-12(16)15(7-8)11-4-3-9(13)6-10(11)14/h2-7H,1H3
InChIKeyUQGLPMFYRJLXAF-UHFFFAOYSA-N
XLogP3.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one (CID 141454449) is 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one is Cc1ccc(=O)n(-c2ccc(Br)cc2F)c1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one?
The InChIKey is UQGLPMFYRJLXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c1-8-2-5-12(16)15(7-8)11-4-3-9(13)6-10(11)14/h2-7H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one?
1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one has a molecular weight of 282.11 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-5-methylpyridin-2-one is sourced from PubChem (CID 141454449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).