8-Quinolineboronic acid

• CAS: 86-58-8
• Catalog Number: ACM86588
• Category: Boronic Acids
• Molecular Weight: 172.98
• Molecular Formula: C9H8BNO2
• Synonyms: Quinoline-8-boronicacid
• IUPAC Name: quinolin-8-ylboronic acid
• SMILES: B(C1=C2C(=CC=C1)C=CC=N2)(O)O
• InChI: InChI=1S/C9H8BNO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12-13H
• InChI Key: KXJJSKYICDAICD-UHFFFAOYSA-N
• Density: 1.28±0.1 g/ml
• Complexity: 177
• Covalently-Bonded Unit Count: 1
• Exact Mass: 173.064809g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 173.064809g/mol
• Rotatable Bond Count: 1
• UNII: 5QS1A25IJ6

Custom Q&A

What is the PubChem CID of 8-Quinolineboronic acid?

PubChem CID 2734380.

What is the molecular formula of 8-Quinolineboronic acid?

The molecular formula is C9H8BNO2.

What is the molecular weight of 8-Quinolineboronic acid?

The molecular weight is 172.98 g/mol.

What is the IUPAC name of 8-Quinolineboronic acid?

The IUPAC name is quinolin-8-ylboronic acid.

What is the InChI of 8-Quinolineboronic acid?

The InChI of 8-Quinolineboronic acid is InChI=1S/C9H8BNO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12-13H.

What is the InChIKey of 8-Quinolineboronic acid?

The InChIKey of 8-Quinolineboronic acid is KXJJSKYICDAICD-UHFFFAOYSA-N.

What is the canonical SMILES of 8-Quinolineboronic acid?

The canonical SMILES of 8-Quinolineboronic acid is B(C1=C2C(=CC=C1)C=CC=N2)(O)O.

What is the CAS number of 8-Quinolineboronic acid?

The CAS number is 86-58-8.

How many hydrogen bond donor counts does 8-Quinolineboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 8-Quinolineboronic acid have?

It has 3 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 16567-18-3
• 121-43-7

• 86-58-8

Reference: [1] Patent: US2016/233434, 2016, A1, . Location in patent: Paragraph 0248; 0249

Upstream Synthesis Route 2

• 16567-18-3

• 86-58-8

Reference: [1] Journal of Organic Chemistry, 2003, vol. 68, # 13, p. 5123 - 5131

Downstream Synthesis Route 1

• 86-58-8

• 607-35-2

Reference: [1] Organic and Biomolecular Chemistry, 2015, vol. 13, # 17, p. 4828 - 4832

Downstream Synthesis Route 2

• 86-58-8
• 107-07-3

• 124160-40-3

Reference: [1]Journal of the American Chemical Society,1959,vol. 81,p. 498,501

Downstream Synthesis Route 3

• 86-58-8
• 71-36-3

• 6119-76-2

Reference: [1]Journal of the American Chemical Society,1959,vol. 81,p. 498,501

* For details of the synthesis route, please refer to the original source to ensure accuracy.