Basic information
- Standard SMILES
CC(C)CSc1nc(C(=O)O)ccc1Br- InChIKey
PBVLBQZZIORNCT-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO2S
- Average molar mass
- 290.18 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-6-(isobutylthio)picolinic acid
- IUPAC
- 5-bromo-6-(2-methylpropylsulfanyl)pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL14151950PBVLBQZZIORNCT-UHFFFAOYSA-N5-Bromo-6-(isobutylthio)picolinic acid
Database identifiers
- PubChem CID
- 71087437
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
8 records
Compound notes
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