Basic information
- Standard SMILES
COC(=O)c1cc(Br)nc2c1[nH]c1cc(OC)c(Cl)cc12- InChIKey
NZUSIFUWRCCZKV-UHFFFAOYSA-N- Molecular formula
- C14H10BrClN2O3
- Average molar mass
- 369.6 g/mol
Names & identifiers
- Preferred name
- methyl 2-bromo-8-chloro-7-methoxy-5H-pyrido[3,2-b]indole-4-carboxylate
- IUPAC
- methyl 2-bromo-8-chloro-7-methoxy-5H-pyrido[3,2-b]indole-4-carboxylate
Names & synonyms
SCHEMBL141841NZUSIFUWRCCZKV-UHFFFAOYSA-Nmethyl 2-bromo-8-chloro-7-methoxy-5H-pyrido[3,2-b]indole-4-carboxylate
Database identifiers
- PubChem CID
- 86663015
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Related reactions
2 records
Compound notes
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