2-Trifluoromethylpyridine-5-boronic acid pinacol ester

• CAS: 1218790-39-6
• Catalog Number: ACM1218790396-1
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of 2-Trifluoromethylpyridine-5-boronic acid pinacol ester?

The molecular formula is C12H15BF3NO2.

What is the molecular weight of 2-Trifluoromethylpyridine-5-boronic acid pinacol ester?

The molecular weight is 273.06 g/mol.

What is the IUPAC name of 2-Trifluoromethylpyridine-5-boronic acid pinacol ester?

The IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine.

What is the InChI of 2-Trifluoromethylpyridine-5-boronic acid pinacol ester?

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

What is the InChIKey of 2-Trifluoromethylpyridine-5-boronic acid pinacol ester?

The InChIKey is SOMIPHAQTXODQM-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Trifluoromethylpyridine-5-boronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(F)(F)F.

What is the CAS number of 2-Trifluoromethylpyridine-5-boronic acid pinacol ester?

The CAS number is 1218790-39-6.

What is the European Community (EC) number of 2-Trifluoromethylpyridine-5-boronic acid pinacol ester?

The European Community (EC) number is 801-891-6.

What is the DSSTox Substance ID of 2-Trifluoromethylpyridine-5-boronic acid pinacol ester?

The DSSTox Substance ID is DTXSID80670745.

Is 2-Trifluoromethylpyridine-5-boronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 368-48-9
• 73183-34-3

• 1036990-42-7
• 1218790-39-6

Reference: [1] Organic and Biomolecular Chemistry, 2014, vol. 12, # 37, p. 7318 - 7327

Upstream Synthesis Route 2

• 368-48-9
• 73183-34-3

• 1036990-42-7
• 1218790-39-6

Reference: [1]Organic and Biomolecular Chemistry,2014,vol. 12,p. 7318 - 7327