Basic information
- Standard SMILES
Cn1cc(-c2cnc3ccc(OS(=O)(=O)C(F)(F)F)cc3c2)cn1- InChIKey
GNUKUDVYPCRPDQ-UHFFFAOYSA-N- Molecular formula
- C14H10F3N3O3S
- Average molar mass
- 357.31 g/mol
Names & identifiers
- Preferred name
- trifluoro-methanesulfonic acid 3-(1-methyl-1H-pyrazol-4-yl)-quinolin-6-yl ester
- IUPAC
- [3-(1-methylpyrazol-4-yl)quinolin-6-yl] trifluoromethanesulfonate
Names & synonyms
trifluoro-methanesulfonic acid 3-(1-methyl-1H-pyrazol-4-yl)-quinolin-6-yl esterSCHEMBL3258189
Database identifiers
- PubChem CID
- 57742328
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 552
Related reactions
2 records
Compound notes
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