Basic information
- Standard SMILES
CCOC(=O)c1ncc2c(cc(Br)n2-c2ccccc2)c1O- InChIKey
JUMGNRJONPPYOC-UHFFFAOYSA-N- Molecular formula
- C16H13BrN2O3
- Average molar mass
- 361.19 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-4-hydroxy-1-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-bromo-4-hydroxy-1-phenylpyrrolo[2,3-c]pyridine-5-carboxylate
Names & synonyms
SCHEMBL2887198JUMGNRJONPPYOC-UHFFFAOYSA-N2-Bromo-4-hydroxy-1-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68428667
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
3 records
Compound notes
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