3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one

C6H6BrFN2O — CID 164559703

IUPAC3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one
SMILESCn1c(F)c(Br)cc(N)c1=O
InChIInChI=1S/C6H6BrFN2O/c1-10-5(8)3(7)2-4(9)6(10)11/h2H,9H2,1H3
InChIKeyOXACDIOGAFLRHP-UHFFFAOYSA-N
MW221.03 g/mol
LogP0.87
Rot. Bonds

About 3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one

3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one (PubChem CID 164559703) has the molecular formula C6H6BrFN2O and a molecular weight of 221.03 g/mol. Its IUPAC name is 3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one
PubChem CID164559703
Molecular FormulaC6H6BrFN2O
Molecular Weight221.03 g/mol
Exact Mass219.96
IUPAC Name3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one
SMILESCn1c(F)c(Br)cc(N)c1=O
InChIInChI=1S/C6H6BrFN2O/c1-10-5(8)3(7)2-4(9)6(10)11/h2H,9H2,1H3
InChIKeyOXACDIOGAFLRHP-UHFFFAOYSA-N
XLogP0.87
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.03
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-amino-5-bromo-6-fluoro-1-methylpyridin-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-amino-5-bromo-6-fluoro-1-methylpyridin-2-one?
The IUPAC name of 3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one (CID 164559703) is 3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one is Cn1c(F)c(Br)cc(N)c1=O.
What is the InChIKey of 3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one?
The InChIKey is OXACDIOGAFLRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O/c1-10-5(8)3(7)2-4(9)6(10)11/h2H,9H2,1H3.
What are the key properties of 3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one?
3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one has a molecular weight of 221.03 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 164559703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).