4-Methoxypyridine N-oxide

C₆H₇NO₂CAS 1122-96-9125.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇NO₂
Molar mass: 125.13 g/mol
Exact mass: 125.0477 Da
Melting point: 81.5–82.5 °C
logP: 0.33Crippen estimate
Polar surface area: 36.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled14.3% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1122-96-9

SMILES

COc1cc[n+]([O-])cc1

InChIKey

BOFAIBPJCWFJFT-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3

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

Names and synonyms

5 names

Pyridine, 4-methoxy-, 1-oxide
4-Methoxypyridine 1-oxide
4-Methoxypyridine oxide
p-Methoxypyridine N-oxide
NSC 27964

Work with 4-Methoxypyridine 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

1,4-Dimethoxybenzene150-78-752 % similar 4-Methylpyridine N-oxide1003-67-448 % similar Anisole100-66-346 % similar 4,4'-Dimethoxybiphenyl2132-80-146 % similar 4-(Benzyloxy)pyridine N-oxide2683-66-144 % similar 4-tert-Butylanisole5396-38-343 % similar 4-Methylanisole104-93-842 % similar 4-Chloropyridine N-oxide1121-76-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Cyanoethyl acrylate106-71-8 Methyl 2-pyrrolecarboxylate1193-62-0 N-Ethylmaleimide128-53-0 2-Propen-1-yl 2-cyanoacetate13361-32-5 4-Methylpyrrole-2-carboxylic acid18711-59-6 3-Methoxy-2(1H)-pyridinone20928-63-6 2-Aminoresorcinol3163-15-3 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-7

Elsewhere

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