chempirical

4-Methoxypyridine N-oxide

C6H7NO2CAS 1122-96-9125.13 g/mol

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ON+O−
Ether

Properties

Molecular formula
C6H7NO2
Molar mass
125.13 g/mol
Exact mass
125.0477 Da
Melting point
81.5–82.5 °C
logP
0.33Crippen estimate
Polar surface area
36.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
1122-96-9
SMILES
COc1cc[n+]([O-])cc1
InChIKey
BOFAIBPJCWFJFT-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3

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Names and synonyms

5 names
  • Pyridine, 4-methoxy-, 1-oxide
  • 4-Methoxypyridine 1-oxide
  • 4-Methoxypyridine oxide
  • p-Methoxypyridine N-oxide
  • NSC 27964

Work with 4-Methoxypyridine 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-Dimethoxybenzene150-78-752 % similar 4-Methylpyridine N-oxide1003-67-448 % similar Anisole100-66-346 % similar 4-tert-Butylanisole5396-38-343 % similar 4-Methylanisole104-93-842 % similar 4-Chloropyridine N-oxide1121-76-242 % similar 4-Methoxypyridine620-08-642 % similar Bis(4-methoxyphenyl)amine101-70-241 % similar

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

Same formula

2-Cyanoethyl acrylate106-71-8 Methyl 2-pyrrolecarboxylate1193-62-0 N-Ethylmaleimide128-53-0 2-Propen-1-yl 2-cyanoacetate13361-32-5 3-Methoxy-2(1H)-pyridinone20928-63-6 2-Aminoresorcinol3163-15-3 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-7 Methyl 1-pyrrolecarboxylate4277-63-8

Elsewhere

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