chempirical

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

C6H2BrF3N2O2CAS 956104-42-0270.99 g/mol

Open in Covalent MOL file
ON+O−NBrFFF
Alkyl halideAryl halideNitro

Properties

Molecular formula
C6H2BrF3N2O2
Molar mass
270.99 g/mol
Exact mass
269.9252 Da
logP
2.77Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
956104-42-0
SMILES
O=[N+]([O-])c1cnc(Br)c(C(F)(F)F)c1
InChIKey
WHTGDIMWBUVWJS-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF3N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H

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Names and synonyms

1 names
  • Pyridine, 2-bromo-5-nitro-3-(trifluoromethyl)-

Work with 2-Bromo-5-nitro-3-(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

2,3-Dibromo-5-nitropyridine15862-36-961 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-956 % similar 4-Nitro-2-(trifluoromethyl)aniline121-01-752 % similar 2-Fluoro-5-nitrobenzotrifluoride400-74-850 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-749 % similar 2,5-Dibromo-3-nitropyridine15862-37-049 % similar 2-Chloro-3,5-dinitrobenzotrifluoride392-95-048 % similar 3-Bromo-5-nitropyridine15862-30-348 % similar

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

Elsewhere

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