chempirical

3,4-Dimethoxy-2-methylpyridine N-oxide

C8H11NO3CAS 72830-07-0169.18 g/mol

Open in Covalent MOL file
N+OOO−
Ether

Properties

Molecular formula
C8H11NO3
Molar mass
169.18 g/mol
Exact mass
169.0739 Da
logP
0.65Crippen estimate
Polar surface area
45.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
72830-07-0
SMILES
CC1=[N+](C=CC(=C1OC)OC)[O-]
InChIKey
UMVFRRJTPKYVAY-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO3/c1-6-8(12-3)7(11-2)4-5-9(6)10/h4-5H,1-3H3

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Work with 3,4-Dimethoxy-2-methylpyridine 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-Chloro-3-methoxy-2-methylpyridine N-oxide122307-41-965 % similar 1,2,3-Trimethoxybenzene634-36-642 % similar 4-Chloro-2,3-dimethyl-1-oxidopyridin-1-ium59886-90-741 % similar 2,3-Dimethylpyridine N-oxide22710-07-240 % similar 2,3-Dimethoxytoluene4463-33-640 % similar 1-Bromo-2,3-dimethoxybenzene5424-43-136 % similar 2,3-Dimethoxyaniline6299-67-836 % similar 2,3-Dimethyl-4-nitropyridine-N-oxide37699-43-736 % similar

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

Same formula

(±)-Norepinephrine138-65-8 (βS)-β-Amino-2-furanbutanoic acid270263-05-3 Noradrenaline51-41-2 Pyridoxine65-23-6 3,4-Dimethoxy-2-pyridinemethanol72830-08-1 Ethyl (ethoxymethylene)cyanoacetate94-05-3

Elsewhere

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