3-Chloro-4-nitropyridine N-oxide

C₅H₃ClN₂O₃CAS 76439-45-7174.54 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
logP: 0.88Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

76439-45-7

SMILES

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

InChIKey

MBHLTDWOVIYXEW-UHFFFAOYSA-N

InChI

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

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Work with 3-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

4-Nitro-3-methylpyridine N-oxide1074-98-261 % similar 3-Bromo-4-nitropyridine N-oxide1678-49-561 % similar 3-Fluoro-4-nitropyridine N-oxide769-54-061 % similar 4-Hydroxy-3-nitropyridine N-oxide31872-57-857 % similar 2-Nitrochlorobenzene88-73-353 % similar 4-Nitropyridine-N-oxide1124-33-050 % similar 2,4-Dichloronitrobenzene611-06-349 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-747 % similar

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

Same formula

2-Chloro-4-nitropyridine N-oxide14432-16-7 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

Elsewhere

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