Basic information
- Standard SMILES
O=C(O)c1nc(Br)c2ccccc2c1O- InChIKey
SAMPWEJQPSRAJO-UHFFFAOYSA-N- Molecular formula
- C10H6BrNO3
- Average molar mass
- 268.06 g/mol
- Monoisotopic mass
- 266.95311
Names & identifiers
- Preferred name
- 1-Bromo-4-hydroxy-isoquinoline-3-carboxylic acid
- IUPAC
- 1-bromo-4-hydroxyisoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL523579SAMPWEJQPSRAJO-UHFFFAOYSA-N1-Bromo-4-hydroxy-isoquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 86014613
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Related reactions
9 records
Compound notes
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