3-amino-5-bromo-6-fluoro-1H-pyridin-2-one

C5H4BrFN2O — CID 164560229

IUPAC3-amino-5-bromo-6-fluoro-1H-pyridin-2-one
SMILESNc1cc(Br)c(F)[nH]c1=O
InChIInChI=1S/C5H4BrFN2O/c6-2-1-3(8)5(10)9-4(2)7/h1H,8H2,(H,9,10)
InChIKeyUUTKIYUBCABJIR-UHFFFAOYSA-N
MW207.00 g/mol
LogP0.86
Rot. Bonds

About 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one

3-amino-5-bromo-6-fluoro-1H-pyridin-2-one (PubChem CID 164560229) has the molecular formula C5H4BrFN2O and a molecular weight of 207.00 g/mol. Its IUPAC name is 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-fluoro-1H-pyridin-2-one
PubChem CID164560229
Molecular FormulaC5H4BrFN2O
Molecular Weight207.00 g/mol
Exact Mass205.95
IUPAC Name3-amino-5-bromo-6-fluoro-1H-pyridin-2-one
SMILESNc1cc(Br)c(F)[nH]c1=O
InChIInChI=1S/C5H4BrFN2O/c6-2-1-3(8)5(10)9-4(2)7/h1H,8H2,(H,9,10)
InChIKeyUUTKIYUBCABJIR-UHFFFAOYSA-N
XLogP0.86
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-5-bromo-6-fluoro-1H-pyridin-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

Related Compounds

3-Amino-6-bromopyridin-2-ol
CID 15062116
3-Amino-5-bromo-6-methylpyridin-2-ol
CID 33695058
3-Amino-6-bromopyridin-2-ol hydrobromide
CID 45789997
5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carboxamide
CID 118598602
5-bromo-3-fluoro-6-oxo-1H-pyridine-2-carboxamide
CID 118598845
3-amino-6-fluoro-1H-pyridin-2-one
CID 130777713
3-amino-6-chloro-5-fluoro-1H-pyridin-2-one
CID 146289035
3-Amino-5-bromo-6-fluoro-1-methylpyridin-2(1H)-one
CID 164559703
3-amino-5-bromo-6-(trifluoromethyl)-1H-pyridin-2-one
CID 105511959
3-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101698
3-amino-5-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101704
5-bromo-3-isocyano-6-methyl-1H-pyridin-2-one
CID 59107044

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one (CID 164560229) is 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one is Nc1cc(Br)c(F)[nH]c1=O.
What is the InChIKey of 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one?
The InChIKey is UUTKIYUBCABJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2O/c6-2-1-3(8)5(10)9-4(2)7/h1H,8H2,(H,9,10).
What are the key properties of 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one?
3-amino-5-bromo-6-fluoro-1H-pyridin-2-one has a molecular weight of 207.00 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 164560229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).