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

C₁₂H₁₅BF₃NO₂CAS 1084953-47-8273.06 g/mol

Open in Covalent MOL file

Alkyl halide Boronic ester

Properties

Molecular formula: C₁₂H₁₅BF₃NO₂
Molar mass: 273.06 g/mol
Exact mass: 273.1148 Da
logP: 2.40Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1084953-47-8

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(F)(F)F

InChIKey

LFZDWNHGQKQVIG-UHFFFAOYSA-N

InChI

InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)9-5-8(6-17-7-9)12(14,15)16/h5-7H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

5-Trifluoromethylpyridine-3-boronic acid pinacol ester

Work with 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-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

4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-361 % similar 3,5-Bis(trifluoromethyl)pyridine20857-47-050 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-644 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-044 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine1093819-50-143 % similar 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-343 % similar 5-(Trifluoromethyl)pyridin-3-amine112110-07-342 % similar 3-Bromo-5-(trifluoromethyl)pyridine436799-33-642 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook