1072946-05-4 | 3-Boronoisonicotinic acid

Availability
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Description

• Catalog Number: AB64361
• Chemical Name: 3-Boronoisonicotinic acid
• CAS Number: 1072946-05-4
• Molecular Formula: C6H6BNO4
• Molecular Weight: 166.9271
• MDL Number: MFCD10696649
• SMILES: OB(c1cnccc1C(=O)O)O

Computed Properties

• Complexity: 175
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 3
• Rotatable Bond Count: 2

Upstream Synthesis Route

3-Boronoisonicotinic acid is a versatile compound commonly used in chemical synthesis due to its unique properties. This compound serves as a key building block in the development of various pharmaceuticals, agrochemicals, and materials. One of its primary applications is as a boronic acid derivative, which enables it to participate in Suzuki-Miyaura coupling reactions. This reaction is widely utilized in organic synthesis to form carbon-carbon bonds, allowing for the creation of complex molecular structures. Additionally, 3-Boronoisonicotinic acid is a valuable tool in the construction of heterocyclic compounds, making it essential in the preparation of diverse chemical libraries for drug discovery and medicinal chemistry research.