Basic information
- Standard SMILES
CCOC(=O)c1nc(C#N)c2c(c1O)c(Br)c(Br)n2Cc1ccccc1OC- InChIKey
OKPDWRAWPLGKPZ-UHFFFAOYSA-N- Molecular formula
- C19H15Br2N3O4
- Average molar mass
- 509.1 g/mol
Names & identifiers
- Preferred name
- 2,3-Dibromo-7-cyano-1-(2-methoxy-benzyl)-4-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 2,3-dibromo-7-cyano-4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
Names & synonyms
SCHEMBL2883350OKPDWRAWPLGKPZ-UHFFFAOYSA-N2,3-Dibromo-7-cyano-1-(2-methoxy-benzyl)-4-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68427331
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 615
Related reactions
3 records
Compound notes
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