4-Chloro-2,3-dimethyl-1-oxidopyridin-1-ium

C₇H₈ClNOCAS 59886-90-7157.60 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₈ClNO
Molar mass: 157.60 g/mol
Exact mass: 157.0294 Da
Melting point: 55 °C
logP: 1.59Crippen estimate
Polar surface area: 26.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed93% of notifiers
H315 Causes skin irritation97.7% of notifiers
H318 Causes serious eye damage93% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59886-90-7

SMILES

Cc1c(Cl)cc[n+]([O-])c1C

InChIKey

MCUYHRNUDDANSO-UHFFFAOYSA-N

InChI

InChI=1S/C7H8ClNO/c1-5-6(2)9(10)4-3-7(5)8/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

5 names

4-Chloro-2,3-dimethylpyridine N-oxide
Pyridine, 4-chloro-2,3-dimethyl-, 1-oxide
4-Chloro-2,3-dimethylpyridine 1-oxide
NSC 275262
2,3-Dimethyl-4-chloropyridineN-oxide

Work with 4-Chloro-2,3-dimethyl-1-oxidopyridin-1-ium

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

4-Chloro-3-methoxy-2-methylpyridine N-oxide122307-41-959 % similar 2,3-Dimethyl-4-nitropyridine-N-oxide37699-43-749 % similar 2,6-Dichlorotoluene118-69-443 % similar 2,3-Dimethylpyridine N-oxide22710-07-242 % similar 3,4-Dimethoxy-2-methylpyridine N-oxide72830-07-041 % similar 2,3,6-Trichlorotoluene2077-46-539 % similar 1-Chloro-2,3-dimethylbenzene608-23-138 % similar 1-Chloro-2-methyl-3-(methylthio)benzene82961-52-237 % similar

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

Same formula

2-Chloro-3-methoxyaniline113206-03-4 4-Chloro-3-methoxyaniline13726-14-2 2-Chloro-5-methoxybenzenamine2401-24-3 2-Amino-5-chlorobenzyl alcohol37585-25-4 2-Chloro-6-ethoxypyridine42144-78-5 3-Chloro-4-methoxyaniline5345-54-0 3-Amino-2-chloro-6-methylphenol84540-50-1 4-Chloro-2-methoxybenzenamine93-50-5

Elsewhere

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