2-Bromopyridine N-oxide hydrochloride

C5H5BrClNOCAS 80866-91-7210.45 g/mol

Open in Covalent MOL file
HClO−N+Br
Aryl halide

Properties

Molecular formula
C5H5BrClNO
Molar mass
210.45 g/mol
Exact mass
208.9243 Da
Melting point
135–136 °C
logP
1.50Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
80866-91-7
SMILES
Cl.[O-][n+]1ccccc1Br
InChIKey
FRYPQGMFDZBQEW-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrNO.ClH/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.

Names and synonyms

4 names
  • Pyridine, 2-bromo-, 1-oxide, hydrochloride (1:1)
  • Pyridine, 2-bromo-, 1-oxide, hydrochloride
  • Pyridine, 2-bromo-, 1-oxide, compd. with hydrochloric acid
  • 2-Bromopyridine 1-oxide hydrochloride

Work with 2-Bromopyridine N-oxide hydrochloride

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 hydrobromide206860-49-3Salt

Similar compounds

Chloride 2-chloropyridinium 1-oxide20295-64-153 % similar 2-Mercaptopyridine N-oxide1121-31-943 % similar 2-Hydroxypyridine N-oxide13161-30-343 % similar 2-Chloropyridine N-oxide2402-95-143 % similar Dipyrithione3696-28-443 % similar 2-Methylpyridine 1-oxide931-19-143 % similar S-(2-Pyridyl)isothiuronium N-oxide hydrochloride2770-93-641 % similar Sodium pyrithione3811-73-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook