chempirical

2,6-Dichloro-3-methyl-5-nitropyridine

C6H4Cl2N2O2CAS 58596-88-6207.01 g/mol

Open in Covalent MOL file
NClClN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H4Cl2N2O2
Molar mass
207.01 g/mol
Exact mass
205.9650 Da
logP
2.61Crippen estimate
Polar surface area
56.0 Ų
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
58596-88-6
SMILES
CC1=CC(=C(N=C1Cl)Cl)[N+](=O)[O-]
InChIKey
XLKDPPLSOTVMFR-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2N2O2/c1-3-2-4(10(11)12)6(8)9-5(3)7/h2H,1H3

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Work with 2,6-Dichloro-3-methyl-5-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

3-Bromo-6-chloro-2-methyl-5-nitropyridine186413-75-259 % similar 2-Chloro-6-methyl-3-nitropyridine56057-19-357 % similar 2-Chloro-3-methyl-5-nitropyridine22280-56-455 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-855 % similar 4,5-Dichloro-2-nitrotoluene7494-45-353 % similar 2,6-Dichloro-3-nitropyridine16013-85-751 % similar 2,4-Dichloro-5-nitropyrimidine49845-33-251 % similar 5-Chloro-2,4-dinitrotoluene51676-74-551 % similar

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

Same formula

Aminopyralid150114-71-9 2,4-Dichloro-6-nitroaniline2683-43-4 Methyl 3,6-dichloropyridazine-4-carboxylate286946-24-5 Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-6 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-9 2,6-Dichloro-4-methyl-3-nitropyridine60010-03-9 2,4-Dichloro-6-methyl-3-nitropyridine63897-12-1 2,5-Dichloro-4-nitrobenzenamine6627-34-5

Elsewhere

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