Basic information
- Standard SMILES
COC(=O)c1ccc2c(Cl)cnc(-c3c(F)cncc3F)c2c1- InChIKey
MNJQJODCBFGHLJ-UHFFFAOYSA-N- Molecular formula
- C16H9ClF2N2O2
- Average molar mass
- 334.7 g/mol
Names & identifiers
- Preferred name
- Methyl 4-chloro-1-(3,5-difluoropyridin-4-yl)isoquinoline-7-carboxylate
- IUPAC
- methyl 4-chloro-1-(3,5-difluoro-4-pyridinyl)isoquinoline-7-carboxylate
Names & synonyms
SCHEMBL9105219MNJQJODCBFGHLJ-UHFFFAOYSA-Nmethyl 4-chloro-1-(3,5-difluoropyridin-4-yl)isoquinoline-7-carboxylate
Database identifiers
- PubChem CID
- 67774472
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
1 records
Compound notes
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