Basic information
- Standard SMILES
O=Cc1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12- InChIKey
KVKPWPOZFHWOQR-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O3S
- Average molar mass
- 365.2 g/mol
Names & identifiers
- Preferred name
- 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-bromo-1-(phenylsulfonyl)-
- IUPAC
- 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-3-carbaldehyde
Names & synonyms
799269-84-41H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-bromo-1-(phenylsulfonyl)-SCHEMBL4196067KVKPWPOZFHWOQR-UHFFFAOYSA-N1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde,5-bromo-1-(phenylsulfonyl)-DB-1136131-Benzenesulfonyl-5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
Database identifiers
- PubChem CID
- 59239753
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 487
Related reactions
3 records
Compound notes
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