6-(2,2,2-Trifluoroethoxy)pyridine-3-boronicacidpinacolester

• CAS: 1268467-17-9
• Catalog Number: ACM1268467179
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C13H17BF3NO3.

What is the molecular weight of the compound?

The molecular weight is 303.09 g/mol.

What is the IUPAC name of the compound?

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

What is the InChI of the compound?

The InChI is InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)9-5-6-10(18-7-9)19-8-13(15,16)17/h5-7H,8H2,1-4H3.

What is the InChIKey of the compound?

The InChIKey is LNXACWWOZVRYCM-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

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

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 7 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.