chempirical

3-Fluoropyridine N-oxide

C5H4FNOCAS 695-37-4113.09 g/mol

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

Properties

Molecular formula
C5H4FNO
Molar mass
113.09 g/mol
Exact mass
113.0277 Da
logP
0.46Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
695-37-4
SMILES
C1=CC(=C[N+](=C1)[O-])F
InChIKey
QVGBDRDOWKIYHK-UHFFFAOYSA-N
InChI
InChI=1S/C5H4FNO/c6-5-2-1-3-7(8)4-5/h1-4H

Weigh it out

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Names and synonyms

1 names
  • Pyridine, 3-fluoro-, 1-oxide

Work with 3-Fluoropyridine 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

3-Methylpyridine N-oxide1003-73-252 % similar 3-Chloropyridine N-oxide1851-22-552 % similar 3-Bromopyridine oxide2402-97-352 % similar 3-Hydroxypyridine N-oxide6602-28-452 % similar 3-Cyanopyridine 1-oxide14906-64-047 % similar Isoquinolin-N-oxide1532-72-543 % similar Nicotinamide N-oxide1986-81-842 % similar Nicotinic acid N-oxide2398-81-442 % similar

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

Same formula

3-Fluoro-2-hydroxypyridine1547-29-1 2-Fluoro-3-pyridinol174669-74-0 3-Fluoro-5-hydroxypyridine209328-55-2 2-Fluoro-4-hydroxypyridine22282-69-5 3-Fluoro-4-pyridinol22282-73-1 2-Fluoro-6-hydroxypyridine50543-23-2 5-Fluoro-2(1H)-pyridinone51173-05-8 6-Fluoropyridin-3-ol55758-32-2

Elsewhere

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