2-Bromopyridine N-oxide hydrobromide

C₅H₅Br₂NOCAS 206860-49-3254.91 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅Br₂NO
Molar mass: 254.91 g/mol
Exact mass: 252.8738 Da
logP: 1.66Crippen estimate
Polar surface area: 26.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Type any one amount. The others follow from the molar mass.

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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