7-chloro-1-oxo-2,5-dihydro-1H-pyrido[4,3-b]indole-4-carbonitrile
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
N#Cc1c[nH]c(=O)c2c1[nH]c1cc(Cl)ccc12- InChIKey
XQYMIPJELPEEHT-UHFFFAOYSA-N- Molecular formula
- C12H6ClN3O
- Average molar mass
- 243.65 g/mol
Names & identifiers
- Preferred name
- 7-chloro-1-oxo-2,5-dihydro-1H-pyrido[4,3-b]indole-4-carbonitrile
- IUPAC
- 7-chloro-1-oxo-2,5-dihydropyrido[4,3-b]indole-4-carbonitrile
Names & synonyms
1132655-17-47-chloro-1-oxo-2,5-dihydro-1H-pyrido[4,3-b]indole-4-carbonitrileSCHEMBL3506412SCHEMBL3615438XQYMIPJELPEEHT-UHFFFAOYSA-NDA-153821-Hydroxy-7-chloro-5H-pyrido[4,3-b]indole-4-carbonitrile
Database identifiers
- PubChem CID
- 56595191
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 438
Related reactions
2 records
Compound notes
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