Basic information
- Standard SMILES
COc1ccc2c(Cl)nc(C)c(C=O)c2c1- InChIKey
BXGKLDMXKBSAGL-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2
- Average molar mass
- 235.66 g/mol
Names & identifiers
- Preferred name
- 1-Chloro-6-methoxy-3-methyl-isoquinoline-4-carbaldehyde
- IUPAC
- 1-chloro-6-methoxy-3-methylisoquinoline-4-carbaldehyde
Names & synonyms
SCHEMBL1472452BXGKLDMXKBSAGL-UHFFFAOYSA-NDB-0882131-chloro-6-methoxy-3-methyl-isoquinoline-4-carbaldehyde869898-01-1
Database identifiers
- PubChem CID
- 86615933
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
4 records
Compound notes
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