Basic information
- Standard SMILES
O=C(NCCO)c1cc(Br)ncc1Nc1ccc(I)cc1F- InChIKey
XQGSWKMDHDPWLR-UHFFFAOYSA-N- Molecular formula
- C14H12BrFIN3O2
- Average molar mass
- 480.07 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-5-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethyl)-isonicotinamide
- IUPAC
- 2-bromo-5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyridine-4-carboxamide
Names & synonyms
SCHEMBL2026619XQGSWKMDHDPWLR-UHFFFAOYSA-N2-Bromo-5-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethyl) -isonicotinamide2-Bromo-5-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethyl)-isonicotinamide
Database identifiers
- PubChem CID
- 11612686
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
5 records
Compound notes
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