6-trifluoromethyl-1-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Basic information
- Standard SMILES
O=C(O)c1cc2ccc(C(F)(F)F)nc2n1Cc1cccc(F)c1- InChIKey
MHTXXJHDVRTKEZ-UHFFFAOYSA-N- Molecular formula
- C16H10F4N2O2
- Average molar mass
- 338.26 g/mol
Names & identifiers
- Preferred name
- 6-trifluoromethyl-1-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
- IUPAC
- 1-[(3-fluorophenyl)methyl]-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
Names & synonyms
6-trifluoromethyl-1-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acidSCHEMBL1099588
Database identifiers
- PubChem CID
- 66907484
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
Related reactions
4 records
Compound notes
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