Basic information
- Standard SMILES
Cc1cc(C#N)ccc1-n1nc(C(F)(F)F)c2c(Cl)ccnc21- InChIKey
PFGMGUZWDOHBKW-UHFFFAOYSA-N- Molecular formula
- C15H8ClF3N4
- Average molar mass
- 336.7 g/mol
Names & identifiers
- Preferred name
- 4-{4-Chloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl}-3-methylbenzonitrile
- IUPAC
- 4-[4-chloro-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-3-methylbenzonitrile
Names & synonyms
4-{4-Chloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl}-3-methylbenzonitrileSCHEMBL2696654
Database identifiers
- PubChem CID
- 67502575
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Related reactions
4 records
Compound notes
Loading…