9H-beta-Carboline-6-carbonitrile
Basic information
- CAS
361202-16-6- Standard SMILES
N#Cc1ccc2[nH]c3cnccc3c2c1- InChIKey
HYOYTXXNDDYLMC-UHFFFAOYSA-N- Molecular formula
- C12H7N3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.06399724
Names & identifiers
- Preferred name
- 9H-beta-Carboline-6-carbonitrile
- IUPAC
- 9H-pyrido[3,4-b]indole-6-carbonitrile
Names & synonyms
361202-16-69H-beta-Carboline-6-carbonitrileDTXSID00612728RefChem:313357DTXCID005634839H-Pyrido[3,4-b]indole-6-carbonitrileCHEMBL81214SCHEMBL14253016BDBM50130218DB-360098
Database identifiers
- CAS
361202-16-6- PubChem CID
- 21362669
- DTXSID
DTXSID00612728- ChEMBL
CHEMBL81214
Properties
Computed structural properties
- XLogP
- 2.9
- 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
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Related reactions
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Compound notes
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