Basic information
- Standard SMILES
COC(=O)c1ccc(Br)c(SCC(C)C)n1- InChIKey
ACESRAYRRKKJIH-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO2S
- Average molar mass
- 304.21 g/mol
Names & identifiers
- Preferred name
- Methyl 5-bromo-6-(isobutylthio)picolinate
- IUPAC
- methyl 5-bromo-6-(2-methylpropylsulfanyl)pyridine-2-carboxylate
Names & synonyms
SCHEMBL14151479ACESRAYRRKKJIH-UHFFFAOYSA-NMethyl 5-bromo-6-(isobutylthio)picolinate
Database identifiers
- PubChem CID
- 71087205
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Related reactions
4 records
Compound notes
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