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3-(5-Bromo-2-fluorophenyl)pyridine-1-oxide

HCID 22473594
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
[O-][n+]1cccc(-c2cc(Br)ccc2F)c1
InChIKey
UUQIVEWOFYRQPC-UHFFFAOYSA-N
Molecular formula
C11H7BrFNO
Average molar mass
268.08 g/mol
Monoisotopic mass
266.9695

Names & identifiers

Preferred name
3-(5-Bromo-2-fluorophenyl)pyridine-1-oxide
IUPAC
3-(5-bromo-2-fluorophenyl)-1-oxidopyridin-1-ium

Names & synonyms

SCHEMBL2650175UUQIVEWOFYRQPC-UHFFFAOYSA-N3-(5-bromo-2-fluorophenyl)pyridine-1-oxide

Database identifiers

PubChem CID
22473594

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
25.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
217

Related reactions

2 records
New reaction record
HRID 154123 reaction equation
HRID 154123As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2184003 reaction equation
HRID 2184003As productuspto-grants-2005_05

Compound notes

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