Basic information
- Standard SMILES
OC(c1ccc(OCc2cccc(C(F)(F)F)c2)nc1)c1c[nH]c2ncccc12- InChIKey
JAYSIZYQCLDCST-UHFFFAOYSA-N- Molecular formula
- C21H16F3N3O2
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.11946125
Names & identifiers
- Preferred name
- (1H-Pyrrolo[2,3-b]pyridin-3-yl)-[6-(3-trifluoromethyl-benzyloxy)-pyridin-3-yl]-methanol
- IUPAC
- 1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol
Names & synonyms
(1H-Pyrrolo[2,3-b]pyridin-3-yl)-[6-(3-trifluoromethyl-benzyloxy)-pyridin-3-yl]-methanolSCHEMBL1267798
Database identifiers
- PubChem CID
- 59593299
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 536
Related reactions
14 records
Compound notes
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