9H-Pyrido[3,4-b]indole-1-carbonitrile
Basic information
- CAS
79960-43-3- Standard SMILES
N#Cc1nccc2c1[nH]c1ccccc12- InChIKey
WKTIQIMSHWNROR-UHFFFAOYSA-N- Molecular formula
- C12H7N3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.06399724
Names & identifiers
- Preferred name
- 9H-Pyrido[3,4-b]indole-1-carbonitrile
- IUPAC
- 9H-pyrido[3,4-b]indole-1-carbonitrile
Names & synonyms
9H-Pyrido[3,4-b]indole-1-carbonitrile79960-43-3CHEMBL73801SCHEMBL7664788DTXSID00437473DB-369765
Database identifiers
- CAS
79960-43-3- PubChem CID
- 10262011
- DTXSID
DTXSID00437473- ChEMBL
CHEMBL73801- Nikkaji
- J1.982.310E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…