Basic information
- Standard SMILES
COC(=O)c1cccc2c(Cl)nccc12- InChIKey
JRMLTRHNDMMVOR-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2
- Average molar mass
- 221.64 g/mol
Names & identifiers
- Preferred name
- Methyl 1-chloroisoquinoline-5-carboxylate
- IUPAC
- methyl 1-chloroisoquinoline-5-carboxylate
Names & synonyms
METHYL 1-CHLOROISOQUINOLINE-5-CARBOXYLATE1206979-27-2SCHEMBL16735228JRMLTRHNDMMVOR-UHFFFAOYSA-NAB73866DA-19335
Database identifiers
- PubChem CID
- 72213626
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
- 15
- Formal charge
- 0
- Complexity
- 247
Related reactions
2 records
Compound notes
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