chempirical

2-Chloro-3,5-dinitropyridine

C5H2ClN3O4CAS 2578-45-2203.54 g/mol

Open in Covalent MOL file
ON+O−NClN+OO−
Aryl halideNitro

Properties

Molecular formula
C5H2ClN3O4
Molar mass
203.54 g/mol
Exact mass
202.9734 Da
Melting point
64.5 °C
logP
1.55Crippen estimate
Polar surface area
99.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
2578-45-2
SMILES
O=[N+]([O-])c1cnc(Cl)c([N+](=O)[O-])c1
InChIKey
QLHVJBXAQWPEDI-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H

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Names and synonyms

2 names
  • Pyridine, 2-chloro-3,5-dinitro-
  • 3,5-Dinitro-2-chloropyridine

Work with 2-Chloro-3,5-dinitropyridine

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-nitropyridine21427-62-370 % similar 2,3-Dichloro-5-nitropyridine22353-40-870 % similar 2-Chloro-3-fluoro-5-nitropyridine1079179-12-666 % similar 2-Chloro-3-methyl-5-nitropyridine22280-56-466 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-866 % similar 2-Chloro-5-iodo-3-nitropyridine426463-05-066 % similar 3-Bromo-2-chloro-5-nitropyridine5470-17-766 % similar 3,5-Dinitro-2(1H)-pyridinone2980-33-860 % similar

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

Elsewhere

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