4-Chloro-3-nitropyridine hydrochloride

C₅H₄Cl₂N₂O₂CAS 54079-68-4195.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₄Cl₂N₂O₂
Molar mass: 195.00 g/mol
Exact mass: 193.9650 Da
logP: 2.06Crippen estimate
Polar surface area: 56.0 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

54079-68-4

SMILES

C1=CN=CC(=C1Cl)[N+](=O)[O-].Cl

InChIKey

YTPDMOPPRVGKEW-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O2.ClH/c6-4-1-2-7-3-5(4)8(9)10;/h1-3H;1H

Weigh it out

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Work with 4-Chloro-3-nitropyridine hydrochloride

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.

4-Chloro-3-nitropyridine13091-23-1Free base

Similar compounds

4-Methoxy-3-nitropyridine hydrochloride31872-61-459 % similar 4-Methyl-3-nitropyridine5832-44-056 % similar 2-Nitrochlorobenzene88-73-353 % similar 3-Chloro-5-nitropyridin-4-amine89284-28-653 % similar 3-Fluoro-4-nitropyridine13505-01-651 % similar 3-Methyl-4-nitropyridine1678-53-151 % similar 4-Methoxy-3-nitropyridine31872-62-551 % similar 5-Nitroisoquinoline607-32-951 % similar

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

Same formula

5-Chloro-6-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione73742-45-7

Elsewhere

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