chempirical

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinamine

C12H16BF3N2O2CAS 944401-57-4288.08 g/mol

Open in Covalent MOL file
OBNHNHFFFO
Alkyl halideBoronic ester

Properties

Molecular formula
C12H16BF3N2O2
Molar mass
288.08 g/mol
Exact mass
288.1257 Da
logP
1.81Crippen estimate
Polar surface area
58.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
944401-57-4
SMILES
CC1(C)OB(c2c[nH]c(=N)cc2C(F)(F)F)OC1(C)C
InChIKey
AHNBKJSRXQDYEO-UHFFFAOYSA-N
InChI
InChI=1S/C12H16BF3N2O2/c1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16/h5-6H,1-4H3,(H2,17,18)

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Names and synonyms

4 names
  • 2-Pyridinamine, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-
  • [5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridyl]amine
  • 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
  • 2-Amino-4-(trifluoromethyl)pyridine-5-boronic acid pinacol ester

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinamine

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

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine827614-64-254 % similar 5-Bromo-4-(trifluoromethyl)-2-pyridinamine944401-56-346 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-342 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine1084953-47-838 % similar 3-Methylpyrazole-4-boronic acid pinacol ester936250-20-338 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-037 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol1054483-78-137 % similar 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-837 % similar

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

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