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

C₇H₈N₂O₃CAS 37699-43-7168.15 g/mol

Open in Covalent MOL file

Nitro

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

Hazards

Warning

H302 Harmful if swallowed14% of notifiers
H315 Causes skin irritation96% of notifiers
H319 Causes serious eye irritation96% of notifiers
H335 May cause respiratory irritation94% of notifiers
H341 Suspected of causing genetic defects14% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

7 names

2,3-Dimethyl-4-nitropyridine N-oxide
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-dimethyl-1-oxidopyridin-1-ium59886-90-749 % 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 2,3-Dimethyl-4-fluoronitrobenzene1736-87-446 % 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 2-Hydroxymethyl-3-methyl-4-nitropyridine168167-49-5 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5

Elsewhere

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