chempirical

2-Chloro-5-iodo-3-nitropyridine

C5H2ClIN2O2CAS 426463-05-0284.44 g/mol

Open in Covalent MOL file
ON+O−INCl
Aryl halideNitro

Properties

Molecular formula
C5H2ClIN2O2
Molar mass
284.44 g/mol
Exact mass
283.8850 Da
Melting point
77–79 °C
logP
2.25Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
426463-05-0
SMILES
O=[N+]([O-])c1cc(I)cnc1Cl
InChIKey
PIJMRJPJERUFNI-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClIN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H

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Names and synonyms

1 names
  • Pyridine, 2-chloro-5-iodo-3-nitro-

Work with 2-Chloro-5-iodo-3-nitropyridine

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

2,5-Dichloro-3-nitropyridine21427-62-366 % similar 2-Chloro-3,5-dinitropyridine2578-45-266 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-862 % similar 5-Iodo-3-nitro-2-pyridinamine25391-57-562 % similar Methyl 6-chloro-5-nitro-3-pyridinecarboxylate59237-53-551 % similar 2-Chloro-3-methyl-5-nitropyridine22280-56-450 % similar 2-Chloro-3-nitropyridine5470-18-850 % similar 2,3-Dichloro-5-nitropyridine22353-40-849 % similar

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

Elsewhere

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