2,3-Dimethyl-4-nitropyridine N-oxide

C₇H₈N₂O₃CAS 37699-43-7168.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈N₂O₃
Molar mass: 168.15 g/mol
Exact mass: 168.0535 Da
Melting point: 91.5–93 °C
logP: 0.84Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

37699-43-7

SMILES

Cc1c([N+](=O)[O-])cc[n+]([O-])c1C

InChIKey

CFMTVTYBZMKULI-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide
2,3-Lutidine, 4-nitro-, 1-oxide
2,3-Dimethyl-4-nitropyridine 1-oxide
4-Nitro-2,3-dimethylpyridine N-oxide
2,3-Dimethyl-4-nitro-1-oxidopyridin-1-ium
2,3-Dimethyl-4-nitropyridin-1-ium-1-olate

Work with 2,3-Dimethyl-4-nitropyridine 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

2,6-Dinitrotoluene606-20-253 % similar 2,3,5-Trimethyl-4-nitropyridine 1-oxide86604-79-753 % similar 4-Nitroquinoline 1-oxide56-57-551 % similar 4-Chloro-2,3-dimethylpyridine N-oxide59886-90-749 % similar 3-Nitro-O-xylene83-41-049 % similar 4-Nitro-3-methylpyridine N-oxide1074-98-248 % similar 4-Nitro-2-methylpyridine N-oxide5470-66-648 % similar 2-Bromo-6-nitrotoluene55289-35-546 % 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 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-9 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

Elsewhere

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