4-Nitro-3-methylpyridine N-oxide

C₆H₆N₂O₃CAS 1074-98-2154.12 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₆H₆N₂O₃
Molar mass: 154.12 g/mol
Exact mass: 154.0378 Da
Melting point: 137.5 °C
logP: 0.54Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin91.3% of notifiers
H315 Causes skin irritation89.1% of notifiers
H319 Causes serious eye irritation87% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation89.1% of notifiers
H351 Suspected of causing cancer89.1% of notifiers

Aggregated from 46 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, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1074-98-2

SMILES

Cc1c[n+]([O-])ccc1[N+](=O)[O-]

InChIKey

SSOURMYKACOBIV-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

13 names · show all

Pyridine, 3-methyl-4-nitro-, 1-oxide
3-Picoline, 4-nitro-, 1-oxide
3-Methyl-4-nitropyridine 1-oxide
5-Methyl-4-nitropyridine N-oxide
4-Nitro-β-picoline N-oxide
4-Nitro-3-picoline 1-oxide
3-Methyl-4-nitropyridine oxide
3-Methyl-4-nitropyridine N-oxide
4-Nitropicoline N-oxide
NSC 168202
NSC 74203
3-Methyl-4-nitropyridin-1-ium-1-olate
3-Methyl-4-nitro-1-oxidopyridin-1-ium

Reactions

3-METHYL-4-NITROPYRIDINE-1-OXIDE (3-Picoline, 4-nitro-, 1-oxide)product

Work with 4-Nitro-3-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

3-Fluoro-4-nitropyridine N-oxide769-54-061 % similar 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-959 % similar 4-Hydroxy-3-nitropyridine N-oxide31872-57-857 % similar 2-Nitrotoluene88-72-253 % similar 4-Nitropyridine-N-oxide1124-33-050 % similar 4-Nitro-M-xylene89-87-249 % similar 2,3-Dimethyl-4-nitropyridine N-oxide37699-43-748 % similar 3-Methyl-4-nitropyridine1678-53-147 % similar

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

Same formula

4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 3-Hydroxy-6-methyl-2-nitropyridine15128-90-2 3-Methoxy-2-nitropyridine20265-37-6 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-8 4-Methyl-5-nitro-2(1H)-pyridinone21901-41-7 4-Methoxy-3-nitropyridine31872-62-5

Elsewhere

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