5-Bromo-2-(methylsulfinyl)pyridine

HCID 58485348

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)c1ccc(Br)cn1
InChIKey: HMMVPDIRAHTPSX-UHFFFAOYSA-N
Molecular formula: C6H6BrNOS
Average molar mass: 220.09 g/mol
Monoisotopic mass: 218.93535

Names & identifiers

Preferred name: 5-Bromo-2-(methylsulfinyl)pyridine
IUPAC: 5-bromo-2-methylsulfinylpyridine

Names & synonyms

5-Bromo-2-(methylsulfinyl)pyridine1193244-90-45-bromo-2-methylsulfinylpyridineSCHEMBL1403988HMMVPDIRAHTPSX-UHFFFAOYSA-N5-Bromo-2-methanesulfinyl-pyridineDB-206707G62685

Database identifiers

PubChem CID: 58485348

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 49.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 142

Related reactions

10 records

New reaction record

HRID 202759As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 674659As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 933659As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1046242As productuspto-grants-2013_10

HRID 1046243As reactantuspto-grants-2013_10

HRID 1046245As reactantuspto-grants-2013_10

HRID 1046246As reactantuspto-grants-2013_10

HRID 1046249As reactantuspto-grants-2013_10

Compound notes

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