Basic information
- Standard SMILES
N#Cc1cc(OCC(F)(F)F)c(Br)cn1- InChIKey
QDAXPZORUFWPDG-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3N2O
- Average molar mass
- 281.03 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-4-(2,2,2-trifluoroethoxy)picolinonitrile
- IUPAC
- 5-bromo-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonitrile
Names & synonyms
5-bromo-4-(2,2,2-trifluoroethoxy)picolinonitrileSCHEMBL15775935A1-488155-Bromo-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carbonitrile1613238-64-4
Database identifiers
- PubChem CID
- 90203379
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Related reactions
2 records
Compound notes
Loading…