3-Fluoro-4-nitropyridine N-oxide

C₅H₃FN₂O₃CAS 769-54-0158.09 g/mol

Open in Covalent MOL file

Aryl halide Nitro

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

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 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 1,5-Difluoro-2,4-dinitrobenzene327-92-447 % similar 3-Fluoro-4-nitrobenzenamine2369-13-346 % 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

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