Basic information
- Standard SMILES
CC(C#N)(CS(C)(=O)=O)NC(=O)c1cc(OCC(F)(F)F)c(Br)cn1- InChIKey
BWBXMCAKSFGWQP-UHFFFAOYSA-N- Molecular formula
- C13H13BrF3N3O4S
- Average molar mass
- 444.23 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (1-cyano-2-methanesulfonyl-1-methyl-ethyl)-amide
- IUPAC
- 5-bromo-N-(2-cyano-1-methylsulfonylpropan-2-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
Names & synonyms
5-Bromo-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (1-cyano-2-methanesulfonyl-1-methyl-ethyl)-amideSCHEMBL15777567
Database identifiers
- PubChem CID
- 90204599
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 643
Related reactions
1 records
Compound notes
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