5-(Methoxycarbonyl)pyridine-3-boronic acid

• CAS: 871329-53-2
• Catalog Number: ACM871329532
• Category: Boronic Acids
• Molecular Weight: 180.95
• Molecular Formula: C₇H₈BNO₄

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C7H8BNO4.

What are the synonyms of the compound?

The synonyms of the compound are 871329-53-2, 5-(METHOXYCARBONYL)PYRIDINE-3-BORONIC ACID, (5-(Methoxycarbonyl)pyridin-3-yl)boronic acid, 5-(methoxycarbonyl)pyridin-3-ylboronic acid, and METHYL 5-BORONONICOTINATE.

What is the molecular weight of the compound?

The molecular weight is 180.96 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (5-methoxycarbonylpyridin-3-yl)boronic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C7H8BNO4/c1-13-7(10)5-2-6(8(11)12)4-9-3-5/h2-4,11-12H,1H3.

What is the InChIKey of the compound?

The InChIKey is PGTWAVVFCNTGCS-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B(C1=CC(=CN=C1)C(=O)OC)(O)O.

What is the CAS number of the compound?

The CAS number is 871329-53-2.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 2.

Is the compound canonicalized?

Yes, the compound is canonicalized.