Basic information
- Standard SMILES
CCOC(=O)c1cnn(-c2cccc(-c3cccnc3F)n2)c1C(F)(F)F- InChIKey
BSIHZJPXQJZAKQ-UHFFFAOYSA-N- Molecular formula
- C17H12F4N4O2
- Average molar mass
- 380.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-(2'-fluoro-2,3'-bipyridin-6-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-[6-(2-fluoro-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
Names & synonyms
Ethyl 1-(2'-fluoro-2,3'-bipyridin-6-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateSCHEMBL1779617
Database identifiers
- PubChem CID
- 67158682
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 522
Related reactions
3 records
Compound notes
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