2-Bromo-4-nitropyridine 1-oxide

C₅H₃BrN₂O₃CAS 52092-43-0218.99 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃BrN₂O₃
Molar mass: 218.99 g/mol
Exact mass: 217.9327 Da
logP: 0.99Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction88.4% of notifiers
H318 Causes serious eye damage88.4% of notifiers
H319 Causes serious eye irritation11.6% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52092-43-0

SMILES

C1=C[N+](=C(C=C1[N+](=O)[O-])Br)[O-]

InChIKey

IRBDHXCXCSFNEQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H

Weigh it out

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

Names and synonyms

1 names

2-Bromo-4-nitropyridine N-oxide

Work with 2-Bromo-4-nitropyridine 1-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

2-Chloro-4-nitropyridine N-oxide14432-16-761 % similar 4-Nitro-2-methylpyridine N-oxide5470-66-661 % similar 4-Nitropyridine-N-oxide1124-33-050 % similar 1-Bromo-3-nitrobenzene585-79-546 % similar 1,3-Dinitrobenzene99-65-045 % similar 1-Bromo-2,4-dinitrobenzene584-48-545 % similar 2-Bromo-4-nitropyridine6945-67-144 % similar 1-Fluoro-3-nitrobenzene402-67-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5-nitro-2(1H)-pyridinone15862-33-6 5-Bromo-3-nitro-2-pyridone15862-34-7 3-Bromo-4-nitropyridine N-oxide1678-49-5 3-Bromo-5-nitro-4-pyridinol31872-65-8 6-Bromo-2-nitro-pyridin-3-ol443956-08-9

Elsewhere

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