2-Chloro-4-nitropyridine N-oxide

C₅H₃ClN₂O₃CAS 14432-16-7174.54 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃ClN₂O₃
Molar mass: 174.54 g/mol
Exact mass: 173.9832 Da
Melting point: 140–143 °C
logP: 0.88Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed91.1% of notifiers
H311 Toxic in contact with skin91.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled91.1% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14432-16-7

SMILES

O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1

InChIKey

YSTCMHHKDOVZDA-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H

Weigh it out

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

Names and synonyms

5 names

Pyridine, 2-chloro-4-nitro-, 1-oxide
NSC 527701
2-Chloro-4-nitropyridine 1-oxide
2-Chloro-4-nitropyridin-1-ium-1-olate
2-Chloro-4-nitro-1-oxidopyridin-1-ium

Work with 2-Chloro-4-nitropyridine 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-Bromo-4-nitropyridine 1-oxide52092-43-061 % similar 4-Nitro-2-methylpyridine N-oxide5470-66-661 % similar 4-Nitropyridine-N-oxide1124-33-050 % similar 1,3-Dinitrobenzene99-65-050 % similar N,N-Dimethyl-3-nitroaniline619-31-847 % similar 3-Nitrochlorobenzene121-73-347 % similar 1,2-Dichloro-4-nitrobenzene99-54-747 % similar Alpha-Chloro-m-nitrotoluene619-23-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-hydroxy-3-nitropyridine165547-79-5 5-Chloro-2-hydroxy-3-nitropyridine21427-61-2 3-Chloro-5-nitro-2(1H)-pyridinone22353-38-4 3-Chloro-4-nitropyridine N-oxide76439-45-7

Elsewhere

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