[1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid,pinacol ester

• CAS: 1218790-54-5
• Catalog Number: ACM1218790545
• Category: Other Products; Other
• Molecular Weight: 247.1
• Molecular Formula: C₁₁H₁₄BN₃O₃
• Synonyms: 1218790-54-5, 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyridine, [1,2,5]Oxadiazolo[3,4-b]pyridine-6-boronic acid, pinacol ester, CTK8B7056, ANW-56306, AKOS015960299, OR40187, AK-96213, KB-07268, A-9188, [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid pinacol ester, [1,2,5]OXADIAZOLO[3,4-B]PYRIDIN-6-YLBORONIC ACID, PINACOL ESTER
• IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyridine
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=NON=C3N=C2
• InChI Key: WWVCWPSNDSQGJQ-UHFFFAOYSA-N
• Exact Mass: 247.11300
• H-Bond Acceptor: 6
• H-Bond Donor: 0

Custom Reviews

June 16, 2023

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Good packing
The packaging of [1,2,5]oxadiazolo[3,4-b]pyridin-6-ylboronic acid,pinacol ester is very tight, and there is no damage during transportation.

Custom Q&A

What is the molecular formula of [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester?

The molecular formula is C11H16BN3O4.

What is the molecular weight of [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester?

The molecular weight is 265.08 g/mol.

What is the IUPAC name of [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester?

The IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)borinic acid.

What is the InChI of [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester?

The InChI is InChI=1S/C11H16BN3O4/c1-10(2,16)11(3,4)18-12(17)7-5-8-9(13-6-7)15-19-14-8/h5-6,16-17H,1-4H3.

What is the InChIKey of [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester?

The InChIKey is XQRALCXLEALIMO-UHFFFAOYSA-N.

What is the canonical SMILES of [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester?

The canonical SMILES is B(C1=CC2=NON=C2N=C1)(O)OC(C)(C)C(C)(C)O.

What is the hydrogen bond donor count of [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester?

The hydrogen bond acceptor count is 7.

How many rotatable bonds does [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester have?

It has 4 rotatable bonds.

What is the heavy atom count of [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester?

The heavy atom count is 19.