5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one

C8H9BrFNO — CID 58070322

IUPAC5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one
SMILESCC(CF)n1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrFNO/c1-6(4-10)11-5-7(9)2-3-8(11)12/h2-3,5-6H,4H2,1H3
InChIKeyLUZPCEQKTACFCU-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.14
Rot. Bonds2

About 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one

5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one (PubChem CID 58070322) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one
PubChem CID58070322
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one
SMILESCC(CF)n1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrFNO/c1-6(4-10)11-5-7(9)2-3-8(11)12/h2-3,5-6H,4H2,1H3
InChIKeyLUZPCEQKTACFCU-UHFFFAOYSA-N
XLogP2.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one (CID 58070322) is 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one is CC(CF)n1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one?
The InChIKey is LUZPCEQKTACFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-6(4-10)11-5-7(9)2-3-8(11)12/h2-3,5-6H,4H2,1H3.
What are the key properties of 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one?
5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one has a molecular weight of 234.07 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1-fluoropropan-2-yl)pyridin-2-one is sourced from PubChem (CID 58070322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).