chempirical

3-Bromopyridine oxide

C5H4BrNOCAS 2402-97-3174.00 g/mol

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

Properties

Molecular formula
C5H4BrNO
Molar mass
174.00 g/mol
Exact mass
172.9476 Da
Melting point
110–112 °C
Boiling point
122–125 °C (at 5 Torr)
logP
1.08Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
2402-97-3
SMILES
[O-][n+]1cccc(Br)c1
InChIKey
YUIBFWHMRBJHNV-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrNO/c6-5-2-1-3-7(8)4-5/h1-4H

Weigh it out

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

Names and synonyms

5 names
  • Pyridine, 3-bromo-, 1-oxide
  • 3-Bromo-1-oxidopyridin-1-ium
  • 3-Bromopyridin-1-ium-1-olate
  • 3-Bromopyridine N-oxide
  • 3-Bromopyridine 1-oxide

Work with 3-Bromopyridine 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

3,5-Dibromopyridine 1-oxide2402-99-552 % similar 3-Methylpyridine N-oxide1003-73-250 % similar 3-Hydroxypyridine N-oxide6602-28-450 % similar 3-Cyanopyridine 1-oxide14906-64-045 % similar Isoquinoline N-oxide1532-72-541 % similar Nicotinamide N-oxide1986-81-841 % similar Nicotinic acid N-oxide2398-81-441 % similar Bromobenzene108-86-138 % 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 6-Bromo-2(1H)-pyridinone27992-32-1 3-Bromo-4-pyridinol36953-41-0 2-Bromo-3-pyridinol6602-32-0 5-Bromo-3-pyridinol74115-13-2

Elsewhere

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