Basic information
- Standard SMILES
Cc1nc(Cl)c2ccccc2c1C=O- InChIKey
NOPNPCNZHDHDRU-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO
- Average molar mass
- 205.64 g/mol
Names & identifiers
- Preferred name
- 1-Chloro-3-methyl-isoquinoline-4-carbaldehyde
- IUPAC
- 1-chloro-3-methylisoquinoline-4-carbaldehyde
Names & synonyms
SCHEMBL1470354NOPNPCNZHDHDRU-UHFFFAOYSA-NDB-0882091-chloro-3-methyl-isoquinoline-4-carbaldehyde869897-97-2
Database identifiers
- PubChem CID
- 86615929
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Related reactions
3 records
Compound notes
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