Basic information
- Standard SMILES
Cn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(Br)nc21- InChIKey
IGKBANHDGHMYLJ-UHFFFAOYSA-N- Molecular formula
- C14H9BrF3N3
- Average molar mass
- 356.14 g/mol
- Monoisotopic mass
- 354.99319
Names & identifiers
- Preferred name
- 6-bromo-1-methyl-3-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 6-bromo-1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
Names & synonyms
6-bromo-1-methyl-3-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridineSCHEMBL1915158
Database identifiers
- PubChem CID
- 86672049
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
2 records
Compound notes
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