2,6-Dichloropyridine N-oxide

C₅H₃Cl₂NOCAS 2587-00-0163.99 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₃Cl₂NO
Molar mass: 163.99 g/mol
Exact mass: 162.9592 Da
logP: 1.63Crippen estimate
Polar surface area: 26.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed85.7% of notifiers
H311 Toxic in contact with skin57.1% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled85.7% 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, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2587-00-0

SMILES

C1=CC(=[N+](C(=C1)Cl)[O-])Cl

InChIKey

RFOMGVDPYLWLOC-UHFFFAOYSA-N

InChI

InChI=1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H

Weigh it out

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

Work with 2,6-Dichloropyridine 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-Chloropyridine N-oxide2402-95-150 % similar 2,6-Dimethylpyridine N-oxide1073-23-045 % similar 2-Chloropyridine N-oxide hydrochloride20295-64-144 % similar 2-Chloro-1-methylpyridinium iodide14338-32-034 % similar 3-Chloropyridine N-oxide1851-22-532 % similar 4-Chloropyridine N-oxide1121-76-232 % similar 2,6-Dichloro-1-fluoropyridinium triflate130433-68-031 % similar

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

Same formula

2,3-Dichloro-5-hydroxypyridine110860-92-9 3,5-Dichloro-4-pyridone17228-70-5 2,6-Dichloropyridin-4-ol17228-74-9 3,5-Dichloro-2(1H)-pyridinone5437-33-2

Elsewhere

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