Basic information
- CAS
117519-10-5- Standard SMILES
CSc1nc(C(F)(F)F)ccc1[N+](=O)[O-]- InChIKey
DAXIIEPCWHIXIP-UHFFFAOYSA-N- Molecular formula
- C7H5F3N2O2S
- Average molar mass
- 238.19 g/mol
- Monoisotopic mass
- 238.00238307
Names & identifiers
- Preferred name
- 2-(Methylsulfanyl)-3-nitro-6-(trifluoromethyl)pyridine
- IUPAC
- 2-methylsulfanyl-3-nitro-6-(trifluoromethyl)pyridine
Names & synonyms
DTXSID7012155902-(Methylsulfanyl)-3-nitro-6-(trifluoromethyl)pyridinePyridine, 2-(methylthio)-3-nitro-6-(trifluoromethyl)-117519-10-5
Database identifiers
- CAS
117519-10-5- PubChem CID
- 85570532
- DTXSID
DTXSID701215590
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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