Methyl 2-(3-((methylsulfonyl)oxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinate

HCID 86697871
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Basic information

Standard SMILES
COC(=O)c1cc(C(F)(F)F)cnc1N1CC(OS(C)(=O)=O)C1
InChIKey
GUYJMKXLMSXZJW-UHFFFAOYSA-N
Molecular formula
C12H13F3N2O5S
Average molar mass
354.3 g/mol

Names & identifiers

Preferred name
Methyl 2-(3-((methylsulfonyl)oxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinate
IUPAC
methyl 2-(3-methylsulfonyloxyazetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate

Names & synonyms

methyl 2-(3-((methylsulfonyl)oxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinateSCHEMBL9900280

Database identifiers

PubChem CID
86697871

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
94.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
23

Related reactions

9 records
New reaction record

Compound notes

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Methyl 2-(3-((methylsulfonyl)oxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinate (HCID 86697871)｜Huagongshe