5-Chloro-8-(1H-pyrrol-1-yl)isoquinoline
Basic information
- CAS
55766-81-9- Standard SMILES
Clc1ccc(-n2cccc2)c2cnccc12- InChIKey
BAIXIQOQJGWFNJ-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.045426
Names & identifiers
- Preferred name
- 5-Chloro-8-(1H-pyrrol-1-yl)isoquinoline
- IUPAC
- 5-chloro-8-pyrrol-1-ylisoquinoline
Names & synonyms
55766-81-9SCHEMBL11842218DTXSID2012794985-Chloro-8-(1H-pyrrol-1-yl)isoquinoline
Database identifiers
- CAS
55766-81-9- PubChem CID
- 21552893
- DTXSID
DTXSID201279498
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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