chempirical

4-Nitropyridine-N-oxide

C5H4N2O3CAS 1124-33-0140.10 g/mol

Open in Covalent MOL file
ON+O−N+O−
Nitro

Properties

Molecular formula
C5H4N2O3
Molar mass
140.10 g/mol
Exact mass
140.0222 Da
Melting point
160.5 °C
logP
0.23Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1124-33-0
SMILES
O=[N+]([O-])c1cc[n+]([O-])cc1
InChIKey
RXKNNAKAVAHBNK-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

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Names and synonyms

8 names
  • Pyridine, 4-nitro-, 1-oxide
  • 4-Nitropyridine 1-oxide
  • 4-Nitropyridine N-oxide
  • 4-Nitropyridine oxide
  • p-Nitropyridine N-oxide
  • NSC 130895
  • NSC 5079
  • 4-Nitro-1-oxidopyridine

Work with 4-Nitropyridine-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

1,4-Dinitrobenzene100-25-461 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-154 % similar Nitrobenzene98-95-354 % similar 4-Nitro-3-methylpyridine N-oxide1074-98-250 % similar 4-Nitropyridine1122-61-850 % similar 2-Chloro-4-nitropyridine N-oxide14432-16-750 % similar 3-Bromo-4-nitropyridine N-oxide1678-49-550 % similar 4-Hydroxy-3-nitropyridine N-oxide31872-57-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Formyluracil1195-08-0 3-Nitro-2(3H)-pyridinone137280-55-8 4,6-Dihydroxy-5-formylpyrimidine14256-99-6 3-Hydroxy-2-nitropyridine15128-08-2 3-Hydroxy-2-nitropyridine15128-82-2 3-Hydroxypyrazine-2-carboxylic acid20737-42-2 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-4 5-Hydroxypyrazine-2-carboxylic acid34604-60-9

Elsewhere

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