3-bromo-5-fluoro-1-propylpyridin-2-one

C8H9BrFNO — CID 178099198

IUPAC3-bromo-5-fluoro-1-propylpyridin-2-one
SMILESCCCn1cc(F)cc(Br)c1=O
InChIInChI=1S/C8H9BrFNO/c1-2-3-11-5-6(10)4-7(9)8(11)12/h4-5H,2-3H2,1H3
InChIKeyOCTIXECHVHDGFH-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.16
Rot. Bonds2

About 3-bromo-5-fluoro-1-propylpyridin-2-one

3-bromo-5-fluoro-1-propylpyridin-2-one (PubChem CID 178099198) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 3-bromo-5-fluoro-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-fluoro-1-propylpyridin-2-one
PubChem CID178099198
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name3-bromo-5-fluoro-1-propylpyridin-2-one
SMILESCCCn1cc(F)cc(Br)c1=O
InChIInChI=1S/C8H9BrFNO/c1-2-3-11-5-6(10)4-7(9)8(11)12/h4-5H,2-3H2,1H3
InChIKeyOCTIXECHVHDGFH-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-fluoro-1-propylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-1-propylpyridin-2-one?
The IUPAC name of 3-bromo-5-fluoro-1-propylpyridin-2-one (CID 178099198) is 3-bromo-5-fluoro-1-propylpyridin-2-one.
What is the SMILES notation for 3-bromo-5-fluoro-1-propylpyridin-2-one?
The canonical SMILES for 3-bromo-5-fluoro-1-propylpyridin-2-one is CCCn1cc(F)cc(Br)c1=O.
What is the InChIKey of 3-bromo-5-fluoro-1-propylpyridin-2-one?
The InChIKey is OCTIXECHVHDGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-2-3-11-5-6(10)4-7(9)8(11)12/h4-5H,2-3H2,1H3.
What are the key properties of 3-bromo-5-fluoro-1-propylpyridin-2-one?
3-bromo-5-fluoro-1-propylpyridin-2-one has a molecular weight of 234.07 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-1-propylpyridin-2-one is sourced from PubChem (CID 178099198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).