2-Diethoxymethylpyridine-3-boronicacidpinacolester

• Catalog Number: ACM1218790410
• Product Name: 2-Diethoxymethylpyridine-3-boronicacidpinacolester
• CAS: 1218790-41-0
• Category: Boronic Esters
• Synonyms: 2-(Diethoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 1218790-41-0, 2-Diethoxymethylpyridine-3-boronic acid pinacol ester, AGN-PC-00YV10, MolPort-000-141-057, AKOS015950279, AK119499, KB-223992, C-1919
• IUPAC Name: 2-(diethoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Molecular Weight: 307.193
• Molecular Formula: C₁₆H₂₆BNO₄
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)C(OCC)OCC
• InChI Key: OILOYJRCMVEUOC-UHFFFAOYSA-N
• Exact Mass: 307.19500
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C16H28BNO5.

What is the molecular weight of the compound?

The molecular weight of the compound is 325.2 g/mol.

When was the compound created?

The compound was created on May 9, 2013.

When was the compound last modified?

The compound was last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [2-(diethoxymethyl)pyridin-3-yl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H28BNO5/c1-7-21-14(22-8-2)13-12(10-9-11-18-13)17(20)23-16(5,6)15(3,4)19/h9-11,14,19-20H,7-8H2,1-6H3.

What is the InChIKey of the compound?

The InChIKey of the compound is IIPKSVDBUODKRD-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=C(N=CC=C1)C(OCC)OCC)(O)OC(C)(C)C(C)(C)O.

How many hydrogen bond donor counts are there in the compound?

There are 2 hydrogen bond donor counts in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 6 hydrogen bond acceptor counts in the compound.