6-(N-Methylamidocarboxy)pyridine-3-boronicacid

• CAS: 1217340-94-7
• Catalog Number: ACM1217340947
• Category: Boro-Amino Acids

Custom Q&A

What is the IUPAC name of the compound?

[6-(methylcarbamoyl)pyridin-3-yl]boronic acid.

What is the molecular formula of the compound?

C7H9BN2O3.

What is the molecular weight of the compound?

179.97 g/mol.

What is the InChI of the compound?

InChI=1S/C7H9BN2O3/c1-9-7(11)6-3-2-5(4-10-6)8(12)13/h2-4,12-13H,1H3,(H,9,11).

What is the InChIKey of the compound?

MWDGTPAHKOWCSY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

B(C1=CN=C(C=C1)C(=O)NC)(O)O.

What is the hydrogen bond donor count of the compound?

3.

What is the hydrogen bond acceptor count of the compound?

4.

How many rotatable bonds are in the compound?

2.

What is the topological polar surface area of the compound?

82.4Ų.