chempirical

2-Bromopyridine N-oxide hydrobromide

C5H5Br2NOCAS 206860-49-3254.91 g/mol

Open in Covalent MOL file
N+BrO−HBr
Aryl halide

Properties

Molecular formula
C5H5Br2NO
Molar mass
254.91 g/mol
Exact mass
252.8738 Da
logP
1.66Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
206860-49-3
SMILES
C1=CC=[N+](C(=C1)Br)[O-].Br
InChIKey
DKUDDLJCRIFJLN-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrNO.BrH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H

Weigh it out

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Work with 2-Bromopyridine N-oxide hydrobromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Bromopyridine N-oxide hydrochloride80866-91-7Salt

Similar compounds

Dipyrithione3696-28-448 % similar 2-Mercaptopyridine N-oxide1121-31-943 % similar 2-Hydroxypyridine N-oxide13161-30-343 % similar 2-Chloropyridine N-oxide2402-95-143 % similar 2-Methylpyridine 1-oxide931-19-143 % similar Chloride 2-chloropyridinium 1-oxide20295-64-139 % similar Sodium pyrithione3811-73-239 % similar Quinoline 1-oxide1613-37-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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