Basic information
- Standard SMILES
COc1ccc2cnccc2c1Cl- InChIKey
FIERDMLAPYQXPH-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO
- Average molar mass
- 193.63 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-6-methoxyisoquinoline
- IUPAC
- 5-chloro-6-methoxyisoquinoline
Names & synonyms
5-chloro-6-methoxyisoquinoline366445-71-8Isoquinoline, 5-chloro-6-methoxy-SCHEMBL4813555FIERDMLAPYQXPH-UHFFFAOYSA-N5-chloranyl-6-methoxy-isoquinolineMFCD28669149BS-47395F845314
Database identifiers
- PubChem CID
- 22226491
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
4 records
Compound notes
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