Basic information
- Standard SMILES
CC(C)CS(=O)(=O)c1cccc(C(=O)O)n1- InChIKey
PBQKWCQMDCCTFX-UHFFFAOYSA-N- Molecular formula
- C10H13NO4S
- Average molar mass
- 243.28 g/mol
- Monoisotopic mass
- 243.05652907
Names & identifiers
- Preferred name
- 6-(Isobutylsulfonyl)picolinic acid
- IUPAC
- 6-(2-methylpropylsulfonyl)pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL14151593PBQKWCQMDCCTFX-UHFFFAOYSA-N6-(Isobutylsulfonyl)picolinic acid
Database identifiers
- PubChem CID
- 71087249
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 344
Related reactions
9 records
Compound notes
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