Basic information
- Standard SMILES
CCOC(=O)c1ncc2c(ccn2Cc2cccc(F)c2)c1O- InChIKey
JZMYTEMPBNSAOW-UHFFFAOYSA-N- Molecular formula
- C17H15FN2O3
- Average molar mass
- 314.31 g/mol
Names & identifiers
- Preferred name
- 1-(3-Fluoro-benzyl)-4-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylate
Names & synonyms
SCHEMBL2880570JZMYTEMPBNSAOW-UHFFFAOYSA-N1-(3-Fluoro-benzyl)-4-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68426257
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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