Basic information
- Standard SMILES
C[C@@](CCn1cc(F)c(I)cc1=O)(C(=O)O)S(C)(=O)=O- InChIKey
WQHBVODMBAECOL-LLVKDONJSA-N- Molecular formula
- C11H13FINO5S
- Average molar mass
- 417.19 g/mol
Names & identifiers
- Preferred name
- (2R)-4-(5-Fluoro-4-iodo-2-oxopyridin-1(2H)-yl)-2-methyl-2-(methylsulfonyl)butanoic acid
- IUPAC
- (2R)-4-(5-fluoro-4-iodo-2-oxo-1-pyridinyl)-2-methyl-2-methylsulfonylbutanoic acid
Names & synonyms
SCHEMBL12099755WQHBVODMBAECOL-LLVKDONJSA-N(2R)-4-(5-Fluoro-4-iodo-2-oxopyridin-1(2H)-yl)-2-methyl-2-(methylsulfonyl)butanoic acid
Database identifiers
- PubChem CID
- 70664587
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 607
Related reactions
2 records
Compound notes
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