Chloride 2-chloropyridinium 1-oxide

C₅H₅Cl₂NOCAS 20295-64-1166.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅Cl₂NO
Molar mass: 166.00 g/mol
Exact mass: 164.9748 Da
Melting point: 143 °C
logP: 1.40Crippen estimate
Polar surface area: 26.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

20295-64-1

SMILES

Cl.[O-][n+]1ccccc1Cl

InChIKey

GRZNODNSNCXOHE-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClNO.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H

Weigh it out

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

Names and synonyms

4 names

Pyridine, 2-chloro-, 1-oxide, hydrochloride (1:1)
Pyridine, 2-chloro-, 1-oxide, hydrochloride
Pyridine, 2-chloro, 1-oxide, compd. with hydrochloric acid
2-Chloropyridine N-oxide hydrochloride

Work with Chloride 2-chloropyridinium 1-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Chloropyridine N-oxide2402-95-1Parent compound

Similar compounds

2-Bromopyridine N-oxide hydrochloride80866-91-753 % similar 2,6-Dichloropyridine N-oxide2587-00-044 % similar 2-Mercaptopyridine N-oxide1121-31-943 % similar 2-Hydroxypyridine N-oxide13161-30-343 % similar Dipyrithione3696-28-443 % similar 2-Methylpyridine 1-oxide931-19-143 % similar S-(2-Pyridyl)isothiuronium N-oxide hydrochloride2770-93-641 % similar 2-Chloro-1-methylpyridinium iodide14338-32-039 % similar

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

Elsewhere

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