1-(3-Chlorophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
Basic information
- CAS
59661-60-8- Standard SMILES
N#Cc1cn(-c2cccc(Cl)c2)c2ncccc12- InChIKey
MOLQYEWISIRHOV-UHFFFAOYSA-N- Molecular formula
- C14H8ClN3
- Average molar mass
- 253.68 g/mol
- Monoisotopic mass
- 253.040675
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
- IUPAC
- 1-(3-chlorophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
Names & synonyms
59661-60-81-(3-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONITRILE1-(3-chlorophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrileNSC251145DTXSID30312204NSC-251145
Database identifiers
- CAS
59661-60-8- PubChem CID
- 317754
- DTXSID
DTXSID30312204
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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