Basic information
- Standard SMILES
COC(=O)c1cc(Cl)cnc1N1CC(OS(C)(=O)=O)C1- InChIKey
QLMFGOGUWLEJAZ-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O5S
- Average molar mass
- 320.75 g/mol
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-(3-((methylsulfonyl)oxy)azetidin-1-yl)nicotinate
- IUPAC
- methyl 5-chloro-2-(3-methylsulfonyloxyazetidin-1-yl)pyridine-3-carboxylate
Names & synonyms
methyl 5-chloro-2-(3-((methylsulfonyl)oxy)azetidin-1-yl)nicotinate1380753-13-8SCHEMBL9901084QLMFGOGUWLEJAZ-UHFFFAOYSA-NDB-360816
Database identifiers
- PubChem CID
- 86697874
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 460
Related reactions
9 records
Compound notes
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