chempirical

2-Chloro-3-nitro-5-(trifluoromethyl)pyridine

C6H2ClF3N2O2CAS 72587-15-6226.54 g/mol

Open in Covalent MOL file
NN+OO−ClFFF
Alkyl halideAryl halideNitro

Properties

Molecular formula
C6H2ClF3N2O2
Molar mass
226.54 g/mol
Exact mass
225.9757 Da
logP
2.66Crippen 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
72587-15-6
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])Cl)C(F)(F)F
InChIKey
DRPIKFKCAJGTJF-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClF3N2O2/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h1-2H

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Work with 2-Chloro-3-nitro-5-(trifluoromethyl)pyridine

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-Nitro-5-(trifluoromethyl)-2(1H)-pyridinone33252-64-165 % similar 2-Chloro-5-fluoro-3-nitropyridine136888-21-663 % similar 2,5-Dichloro-3-nitropyridine21427-62-361 % similar 2-Chloro-3,5-dinitropyridine2578-45-261 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-961 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-857 % similar 2-Chloro-5-iodo-3-nitropyridine426463-05-057 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-357 % similar

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

Elsewhere

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