4-Bromopyridine N-oxide

C5H4BrNOCAS 14248-50-1174.00 g/mol

Open in Covalent MOL file
N+BrO−
Aryl halide

Properties

Molecular formula
C5H4BrNO
Molar mass
174.00 g/mol
Exact mass
172.9476 Da
logP
1.08Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
14248-50-1
SMILES
C1=C[N+](=CC=C1Br)[O-]
InChIKey
ZRXLKDCFWJECNO-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrNO/c6-5-1-3-7(8)4-2-5/h1-4H

Weigh it out

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

Names and synonyms

1 names
  • 4-Bromopyridin-1-ium-1-olate

Work with 4-Bromopyridine N-oxide

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

Similar compounds

4-Methylpyridine N-oxide1003-67-448 % similar 4-Chloropyridine N-oxide1121-76-248 % similar 3,5-Dibromopyridine 1-oxide2402-99-548 % similar 4-Phenylpyridine 1-oxide1131-61-946 % similar 1,4-Dibromobenzene106-37-644 % similar 4-Methoxypyridine N-oxide1122-96-942 % similar 4-Cyanopyridine N-oxide14906-59-342 % similar 4-Nitropyridine-N-oxide1124-33-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-hydroxypyridine13466-38-1 3-Bromo-2(1H)-pyridinone13466-43-8 4-Bromopyridin-3-ol161417-28-3 3-Bromopyridine oxide2402-97-3 6-Bromo-2(1H)-pyridinone27992-32-1 4-Bromopyridin-2-ol36953-37-4 2-Bromo-4-hydroxypyridine36953-40-9 3-Bromo-4-pyridinol36953-41-0

Elsewhere

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