5-(2-Hydroxypropan-2-yl)pyridin-3-ylboronicacidpinacolester

• CAS: 1257431-63-2
• Catalog Number: ACM1257431632
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of the compound referenced?

The molecular formula is C14H22BNO3.

When was the compound created and modified?

The compound was created on October 30, 2011, and modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name is 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]propan-2-ol.

What is the InChI of the compound?

The InChI is InChI=1S/C14H22BNO3/c1-12(2,17)10-7-11(9-16-8-10)15-18-13(3,4)14(5,6)19-15/h7-9,17H,1-6H3.

What is the InChIKey of the compound?

The InChIKey is FIWGJYZBBBBXPY-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(C)(C)O.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 51.6Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.