Basic information
- Standard SMILES
CN1CCc2c(n(C)c3cc(Br)ccc23)C1- InChIKey
QNONYJLPBQDBLC-UHFFFAOYSA-N- Molecular formula
- C13H15BrN2
- Average molar mass
- 279.18 g/mol
- Monoisotopic mass
- 278.04186
Names & identifiers
- Preferred name
- 7-Bromo-2,9-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
- IUPAC
- 7-bromo-2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
Names & synonyms
SCHEMBL3475699QNONYJLPBQDBLC-UHFFFAOYSA-N7-Bromo-2,9-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Database identifiers
- PubChem CID
- 57950359
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
10 records
Compound notes
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