3,5-Dibromopyridine 1-oxide

C5H3Br2NOCAS 2402-99-5252.89 g/mol

Open in Covalent MOL file
O−N+BrBr
Aryl halide

Properties

Molecular formula
C5H3Br2NO
Molar mass
252.89 g/mol
Exact mass
250.8581 Da
Melting point
143.5–144.5 °C
logP
1.84Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 41 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2402-99-5
SMILES
[O-][n+]1cc(Br)cc(Br)c1
InChIKey
QBUQQUOGXPOBAQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H3Br2NO/c6-4-1-5(7)3-8(9)2-4/h1-3H

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Names and synonyms

4 names
  • Pyridine, 3,5-dibromo-, 1-oxide
  • 3,5-Dibromopyridine N-oxide
  • 3,5-Dibromo-1-oxidopyridin-1-ium
  • 3,5-Dibromopyridin-1-ium-1-olate

Work with 3,5-Dibromopyridine 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

3-Bromopyridine oxide2402-97-352 % similar 4-Bromopyridine N-oxide14248-50-148 % similar 1,3,5-Tribromobenzene626-39-144 % similar 3,3',5,5'-Tetrabromobiphenyl16400-50-338 % similar 1,3-Dibromobenzene108-36-136 % similar 3,5-Dibromopyridine625-92-335 % similar 1,3-Dibromo-5-fluorobenzene1435-51-433 % similar 1,3-Dibromo-5-chlorobenzene14862-52-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dibromo-2(1H)-pyridinone13472-81-6 2,6-Dibromopyridin-3-ol6602-33-1

Elsewhere

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