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Structure

5-(Methylsulphonyl)pyridine-3-boronic acid

CAS
913836-01-8
Catalog Number
ACM913836018
Category
Boronic Acids
Molecular Weight
201.00802
Molecular Formula
C6H8BNO4S

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What is the molecular formula of 5-(Methylsulphonyl)pyridine-3-boronic acid?

The molecular formula is C6H8BNO4S.

What is the molecular weight of 5-(Methylsulphonyl)pyridine-3-boronic acid?

The molecular weight is 201.01 g/mol.

What is the IUPAC name of 5-(Methylsulphonyl)pyridine-3-boronic acid?

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

What is the InChI of 5-(Methylsulphonyl)pyridine-3-boronic acid?

The InChI is InChI=1S/C6H8BNO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3.

What is the InChIKey of 5-(Methylsulphonyl)pyridine-3-boronic acid?

The InChIKey is YGXNPQDXWDCWET-UHFFFAOYSA-N.

What is the canonical SMILES of 5-(Methylsulphonyl)pyridine-3-boronic acid?

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

What is the CAS number of 5-(Methylsulphonyl)pyridine-3-boronic acid?

The CAS number is 913836-01-8.

What is the European Community (EC) number of 5-(Methylsulphonyl)pyridine-3-boronic acid?

The EC number is 685-589-8.

What is the DSSTox Substance ID of 5-(Methylsulphonyl)pyridine-3-boronic acid?

The DSSTox Substance ID is DTXSID50657189.

Is 5-(Methylsulphonyl)pyridine-3-boronic acid a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Downstream Synthesis Route 1

  • 913836-01-8
  • 1198436-89-3
  • 1198803-35-8

Reference: [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2009/147187, 2009, A1
Location in patent: Page/Page column 154-155

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

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