chempirical

2,3,5-Trimethyl-4-nitropyridine 1-oxide

C8H10N2O3CAS 86604-79-7182.18 g/mol

Open in Covalent MOL file
N+O−N+OO−
Nitro

Properties

Molecular formula
C8H10N2O3
Molar mass
182.18 g/mol
Exact mass
182.0691 Da
Melting point
73–74 °C
logP
1.15Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
86604-79-7
SMILES
Cc1c[n+]([O-])c(C)c(C)c1[N+](=O)[O-]
InChIKey
YMBLTOGTYNFTRX-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O3/c1-5-4-9(11)7(3)6(2)8(5)10(12)13/h4H,1-3H3

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Names and synonyms

4 names
  • Pyridine, 2,3,5-trimethyl-4-nitro-, 1-oxide
  • 2,3,5-Trimethyl-4-nitropyridine N-oxide
  • 4-Nitro-2,3,5-trimethylpyridine N-oxide
  • 2,3,5-Trimethyl-4-nitro-1-oxidopyridin-1-ium

Work with 2,3,5-Trimethyl-4-nitropyridine 1-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

3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-956 % similar 2,3-Dimethyl-4-nitropyridine N-oxide37699-43-753 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-445 % similar 2,6-Dimethylnitrobenzene81-20-943 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-041 % similar Musk tibetene145-39-140 % similar Musk xylene81-15-240 % similar 3-Nitro-O-xylene83-41-040 % similar

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

Same formula

3,5-Dimethyl-4-nitro-2-pyridinemethanol149082-03-1 Hc yellow 24926-55-0 4-Ethoxy-2-nitroaniline616-86-4

Elsewhere

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