Basic information
- Standard SMILES
Cn1cc(Br)cc(Nc2ccc(F)cn2)c1=O- InChIKey
IJPSMKBWZGPUOQ-UHFFFAOYSA-N- Molecular formula
- C11H9BrFN3O
- Average molar mass
- 298.11 g/mol
- Monoisotopic mass
- 296.9913
Names & identifiers
- Preferred name
- 5-Bromo-3-(5-fluoropyridin-2-ylamino)-1-methylpyridin-2(1H)-one
- IUPAC
- 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methylpyridin-2-one
Names & synonyms
SCHEMBL10255868IJPSMKBWZGPUOQ-UHFFFAOYSA-N5-Bromo-3-(5-fluoropyridin-2-ylamino)-1-methylpyridin-2(1H)-one
Database identifiers
- PubChem CID
- 58044281
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Related reactions
4 records
Compound notes
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