Basic information
- Standard SMILES
COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(S)c1CC(C)C- InChIKey
GTHIOFVWNIGYAA-UHFFFAOYSA-N- Molecular formula
- C13H14F5NO2S
- Average molar mass
- 343.31 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(difluoromethyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylate
- IUPAC
- methyl 2-(difluoromethyl)-4-(2-methylpropyl)-5-sulfanyl-6-(trifluoromethyl)pyridine-3-carboxylate
Names & synonyms
methyl 2-(difluoromethyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylateSCHEMBL6730437methyl 2-(difluoro-methyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylateMethyl 2-(Difluoromethyl)-5-mercapto-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate
Database identifiers
- PubChem CID
- 9974711
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
10 records
Compound notes
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