Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC(O)C2)c(Br)c1- InChIKey
NKQPSILJXHNYJB-UHFFFAOYSA-N- Molecular formula
- C16H13BrF3N3O3
- Average molar mass
- 432.19 g/mol
Names & identifiers
- Preferred name
- 5-bromo-6-(3-hydroxyazetidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 5-bromo-6-(3-hydroxyazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
5-bromo-6-(3-hydroxyazetidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15390912
Database identifiers
- PubChem CID
- 89906282
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 497
Related reactions
3 records
Compound notes
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