chempirical

3,5-Dimethyl-4-nitropyridine 1-oxide

C7H8N2O3CAS 14248-66-9168.15 g/mol

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

Properties

Molecular formula
C7H8N2O3
Molar mass
168.15 g/mol
Exact mass
168.0535 Da
Melting point
174–175 °C
logP
0.84Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
14248-66-9
SMILES
Cc1c[n+]([O-])cc(C)c1[N+](=O)[O-]
InChIKey
VLKVMXPKEDVNBO-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3/c1-5-3-8(10)4-6(2)7(5)9(11)12/h3-4H,1-2H3

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Names and synonyms

6 names
  • Pyridine, 3,5-dimethyl-4-nitro-, 1-oxide
  • 3,5-Lutidine, 4-nitro-, 1-oxide
  • 3,5-Dimethyl-4-nitropyridine N-oxide
  • 4-Nitro-3,5-dimethylpyridine 1-oxide
  • NSC 63056
  • 3,5-Dimethyl-4-nitro-1-oxidopyridin-1-ium

Work with 3,5-Dimethyl-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

4-Nitro-3-methylpyridine N-oxide1074-98-259 % similar 2,6-Dimethylnitrobenzene81-20-957 % similar 2,3,5-Trimethyl-4-nitropyridine 1-oxide86604-79-756 % similar Nitromesitylene603-71-455 % similar 2,3-Dinitrotoluene602-01-746 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-445 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-044 % similar 3-Methyl-2-nitrophenol4920-77-843 % similar

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

Same formula

2-Methoxy-6-methyl-3-nitropyridine112163-03-8 2,4-Dihydroxybenzhydrazide13221-86-8 5-Methoxy-2-nitrobenzenamine16133-49-6 2-Methoxy-6-nitrobenzenamine16554-45-3 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5 2-Ethoxy-5-nitropyridine31594-45-3 2,3-Dimethyl-4-nitropyridine N-oxide37699-43-7

Elsewhere

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