9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-chloro-4-methyl-
Basic information
- CAS
13608-16-7- Standard SMILES
CC1CNCc2[nH]c3ccc(Cl)cc3c21- InChIKey
MQFMQAOAZJDUQG-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2
- Average molar mass
- 220.7 g/mol
- Monoisotopic mass
- 220.0767261
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-chloro-4-methyl-
- IUPAC
- 6-chloro-4-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Names & synonyms
13608-16-7BRN 05226799H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-chloro-4-methyl-4-Methyl-6-chloro-1,2,3,4-tetrahydro-beta-carboline6-chloro-4-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indoleDTXSID90929251
Database identifiers
- CAS
13608-16-7- PubChem CID
- 202971
- DTXSID
DTXSID90929251- Nikkaji
- J85.825K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…