Trifluoro-methanesulfonic acid 1-methyl-2-oxo-1,2-dihydro-pyridin-4-yl ester
Basic information
- Standard SMILES
Cn1ccc(OS(=O)(=O)C(F)(F)F)cc1=O- InChIKey
NAWZGIDYRNNRIA-UHFFFAOYSA-N- Molecular formula
- C7H6F3NO4S
- Average molar mass
- 257.19 g/mol
- Monoisotopic mass
- 256.99696333
Names & identifiers
- Preferred name
- Trifluoro-methanesulfonic acid 1-methyl-2-oxo-1,2-dihydro-pyridin-4-yl ester
- IUPAC
- (1-methyl-2-oxo-4-pyridinyl) trifluoromethanesulfonate
Names & synonyms
trifluoro-methanesulfonic acid 1-methyl-2-oxo-1,2-dihydro-pyridin-4-yl esterSCHEMBL5888551-methyl-2-oxo-1,2-dihydropyridin-4-yl trifluoromethanesulfonate636581-68-5DB-323097
Database identifiers
- PubChem CID
- 59337641
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 457
Related reactions
12 records
Compound notes
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