2-Chloroquinolin-3-boronic acid

• CAS: 128676-84-6
• Catalog Number: ACM128676846
• Category: Boronic Acids
• Molecular Weight: 207.42g/mol
• Molecular Formula: C9H7BClNO2
• IUPAC Name: (2-chloroquinolin-3-yl)boronic acid
• Canonical SMILES: B(C1=CC2=CC=CC=C2N=C1Cl)(O)O
• InChI: InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
• InChI Key: JAQXYUOPSOXQCG-UHFFFAOYSA-N
• Complexity: 205
• Covalently-Bonded Unit Count: 1
• Exact Mass: 207.025836g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 207.025836g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2-Chloroquinolin-3-boronic acid?

The molecular formula of 2-Chloroquinolin-3-boronic acid is C9H7BClNO2.

What is the molecular weight of 2-Chloroquinolin-3-boronic acid?

The molecular weight of 2-Chloroquinolin-3-boronic acid is 207.42 g/mol.

What is the IUPAC name of 2-Chloroquinolin-3-boronic acid?

The IUPAC name of 2-Chloroquinolin-3-boronic acid is (2-chloroquinolin-3-yl)boronic acid.

What is the InChI representation of 2-Chloroquinolin-3-boronic acid?

The InChI representation of 2-Chloroquinolin-3-boronic acid is InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H.

What is the InChIKey of 2-Chloroquinolin-3-boronic acid?

The InChIKey of 2-Chloroquinolin-3-boronic acid is JAQXYUOPSOXQCG-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2-Chloroquinolin-3-boronic acid?

The canonical SMILES representation of 2-Chloroquinolin-3-boronic acid is B(C1=CC2=CC=CC=C2N=C1Cl)(O)O.

What is the CAS number of 2-Chloroquinolin-3-boronic acid?

The CAS number of 2-Chloroquinolin-3-boronic acid is 128676-84-6.

What is the EPA DSSTox Substance ID of 2-Chloroquinolin-3-boronic acid?

The EPA DSSTox Substance ID of 2-Chloroquinolin-3-boronic acid is DTXSID90400737.

What is the Nikkaji Number of 2-Chloroquinolin-3-boronic acid?

The Nikkaji Number of 2-Chloroquinolin-3-boronic acid is J277.190J.

Is 2-Chloroquinolin-3-boronic acid a canonicalized compound?

Yes, 2-Chloroquinolin-3-boronic acid is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 128676-84-6

• 128676-94-8

Reference: [1] Patent: WO2008/57209, 2008, A1, . Location in patent: Page/Page column 58-59

Downstream Synthesis Route 2

• 128676-84-6

• 128676-94-8

Reference: [1]Patent: WO2008/57209,2008,A1 .Location in patent: Page/Page column 58-59

Downstream Synthesis Route 3

• 128676-84-6
• 1253570-39-6

• 1253575-28-8

Reference: [1]Current Patent Assignee: AMGEN INC - WO2010/126895, 2010, A1
Location in patent: Page/Page column 336

Downstream Synthesis Route 4

• 128676-84-6
• 1345044-77-0

• 1415663-45-4

Reference: [1]Saugues, Emmanuelle; Debaud, Anne-Laure; Anizon, Fabrice; Bonnefoy, Nathalie; Moreau, Pascale
[European Journal of Medicinal Chemistry, 2012, vol. 57, p. 112 - 125]

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