Basic information
- Standard SMILES
FC(F)(c1ccc2ncccc2c1)c1noc2ccc(Cl)nc12- InChIKey
CMIRWOCYPXUUHB-UHFFFAOYSA-N- Molecular formula
- C16H8ClF2N3O
- Average molar mass
- 331.7 g/mol
Names & identifiers
- Preferred name
- 6-((5-Chloroisoxazolo[4,5-b]pyridin-3-yl)difluoromethyl)quinoline
- IUPAC
- 5-chloro-3-[difluoro(quinolin-6-yl)methyl]-[1,2]oxazolo[4,5-b]pyridine
Names & synonyms
6-((5-chloroisoxazolo[4,5-b]pyridin-3-yl)difluoromethyl)quinolineSCHEMBL2695575
Database identifiers
- PubChem CID
- 57690987
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
9 records
Compound notes
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