4-Nitro-2-methylpyridine N-oxide

C₆H₆N₂O₃CAS 5470-66-6154.12 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: 156–156.5 °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 swallowed89.8% of notifiers
H312 Harmful in contact with skin89.8% of notifiers
H315 Causes skin irritation95.9% of notifiers
H319 Causes serious eye irritation95.9% of notifiers
H332 Harmful if inhaled89.8% of notifiers
H335 May cause respiratory irritation93.9% of notifiers
H341 Suspected of causing genetic defects10.2% of notifiers
H351 Suspected of causing cancer83.7% of notifiers

Aggregated from 49 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

5470-66-6

SMILES

Cc1cc([N+](=O)[O-])cc[n+]1[O-]

InChIKey

FTTIAVRPJGCXAC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Pyridine, 2-methyl-4-nitro-, 1-oxide
2-Picoline, 4-nitro-, 1-oxide
4-Nitro-α-picoline N-oxide
2-Methyl-4-nitropyridine 1-oxide
4-Nitro-2-picoline N-oxide
2-Methyl-4-nitropyridine N-oxide
4-Nitro-2-methylpyridine 1-oxide
NSC 27962
2-Methyl-4-nitropyridin-1-ium-1-olate
2-Methyl-4-nitro-1-oxidopyridin-1-ium

Work with 4-Nitro-2-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

2-Chloro-4-nitropyridine N-oxide14432-16-761 % similar 2-Bromo-4-nitropyridine 1-oxide52092-43-061 % similar 4-Nitropyridine-N-oxide1124-33-050 % similar 2,3-Dimethyl-4-nitropyridine-N-oxide37699-43-748 % similar 4-Nitro-o-xylene99-51-447 % similar 3-Nitrotoluene99-08-146 % similar 1,3-Dinitrobenzene99-65-045 % similar 2,4-Dinitrotoluene121-14-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 6-Methyl-2-nitropyridin-3-ol15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 3-Methoxy-2-nitropyridine20265-37-6 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8

Elsewhere

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