8-isoquinolinyl-boronic acid

• CAS: 721401-43-0
• Catalog Number: ACM721401430
• Category: Boronic Acids
• Molecular Weight: 172.98
• Molecular Formula: C9H8BNO2
• Synonyms: 721401-43-0, 8-ISOQUINOLINEBORONIC ACID, 8-ISOQUINOLINYL-BORONIC ACID, 8-isoquinolinyl-boronicacid, Isoquinolin-8-yl-8-boronic acid, AG-G-83573, 8-Boronoisoquinoline, PubChem11565, Isoquinoline-8-boronic acid, SureCN3788988, isoquinolin-8-ylboronic acid, Isoquinoliine-8-boronic acid, CTK5D5601, MolPort-009-199-465, ANW-61420, WTI-10198, AKOS015902142, Boronic acid,8-isoquinolinyl- (9CI), OR60072, RP02769
• IUPAC Name: isoquinolin-8-ylboronic acid
• Canonical SMILES: B(C1=C2C=NC=CC2=CC=C1)(O)O
• InChI Key: RKCMKNFWHLIGSF-UHFFFAOYSA-N
• Boiling Point: 419.1ºC at 760 mmHg
• Flash Point: 207.3ºC
• Density: 1.28g/cm³
• Exact Mass: 173.06500
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 8-isoquinolinyl-boronic acid?

The molecular formula is C9H8BNO2.

What is the molecular weight of 8-isoquinolinyl-boronic acid?

The molecular weight is 172.98 g/mol.

What is the IUPAC name of 8-isoquinolinyl-boronic acid?

The IUPAC name is isoquinolin-8-ylboronic acid.

What is the InChI of 8-isoquinolinyl-boronic acid?

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

What is the InChIKey of 8-isoquinolinyl-boronic acid?

The InChIKey is RKCMKNFWHLIGSF-UHFFFAOYSA-N.

What is the canonical SMILES of 8-isoquinolinyl-boronic acid?

The canonical SMILES is B(C1=C2C=NC=CC2=CC=C1)(O)O.

What is the CAS number of 8-isoquinolinyl-boronic acid?

The CAS number is 721401-43-0.

What is the hydrogen bond donor count of 8-isoquinolinyl-boronic acid?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of 8-isoquinolinyl-boronic acid?

The hydrogen bond acceptor count is 3.

Is 8-isoquinolinyl-boronic acid considered a canonical compound?

Yes, it is considered a canonical compound.

Synthetic Use

Upstream Synthesis Route 1

• 63927-22-0
• 121-43-7

• 721401-43-0

Reference: [1] Patent: WO2018/165718, 2018, A1, . Location in patent: Page/Page column 93

Upstream Synthesis Route 2

• 63927-22-0

• 721401-43-0

Reference: [1] Chemistry - A European Journal, 2010, vol. 16, # 45, p. 13528 - 13538

Upstream Synthesis Route 3

• 63927-22-0

• 721401-43-0

Reference: [1]Chemistry - A European Journal,2010,vol. 16,p. 13528 - 13538