3-Fluoro-4-nitropyridine N-oxide

C5H3FN2O3CAS 769-54-0158.09 g/mol

Open in Covalent MOL file
ON+O−N+O−F
Aryl halideNitro

Properties

Molecular formula
C5H3FN2O3
Molar mass
158.09 g/mol
Exact mass
158.0128 Da
Melting point
122 °C
logP
0.37Crippen 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 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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
769-54-0
SMILES
O=[N+]([O-])c1cc[n+]([O-])cc1F
InChIKey
QHWIGULJOZAPAQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H3FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Pyridine, 3-fluoro-4-nitro-, 1-oxide
  • 3-Fluoro-4-nitropyridine 1-oxide
  • 3-Fluoro-4-nitro-1-oxidopyridin-1-ium
  • 3-Fluoro-4-nitropyridin-1-ium-1-olate

Work with 3-Fluoro-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

4-Nitro-3-methylpyridine N-oxide1074-98-261 % similar 3-Bromo-4-nitropyridine N-oxide1678-49-561 % similar 3-Chloro-4-nitropyridine N-oxide76439-45-761 % similar 4-Hydroxy-3-nitropyridine N-oxide31872-57-857 % similar 1-Fluoro-2-nitrobenzene1493-27-253 % similar 4-Nitropyridine-N-oxide1124-33-050 % similar 2,4-Difluoronitrobenzene446-35-549 % similar 3-Fluoro-4-nitropyridine13505-01-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Fluoro-3-nitro-2(1H)-pyridinone136888-20-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook