5-Chloropyridine-3-boronic acid

• CAS: 872041-85-5
• Catalog Number: ACM872041855
• Category: Boronic Acids
• Molecular Weight: 157.36g/mol
• Molecular Formula: C5H5BClNO2
• Synonyms: 5-CHLORO-3-PYRIDINEBORONIC ACID;5-CHLORO-3-PYRIDINYL BORONIC ACID;5-CHLOROPYRIDIN-3-YLBORONIC ACID;5-CHLOROPYRIDINE-3-BORONIC ACID;5-Chloropyridne-3-boronic acid;3-Chloropyridine-5-boronic acid;5-chloropyridin-3-yl-3-boronic acid;(3-Chloro-5-pyridyl)boron
• IUPAC Name: (5-chloropyridin-3-yl)boronic acid
• Canonical SMILES: B(C1=CC(=CN=C1)Cl)(O)O
• InChI: InChI=1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
• InChI Key: NJXYBTMCTZAUEE-UHFFFAOYSA-N
• Complexity: 114
• Covalently-Bonded Unit Count: 1
• Exact Mass: 157.010186g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 157.010186g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 5-Chloropyridine-3-boronic acid?

The molecular formula is C5H5BClNO2.

What is the molecular weight of 5-Chloropyridine-3-boronic acid?

The molecular weight is 157.36 g/mol.

What is the IUPAC name of 5-Chloropyridine-3-boronic acid?

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

What is the InChI of 5-Chloropyridine-3-boronic acid?

The InChI is InChI=1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H.

What is the InChIKey of 5-Chloropyridine-3-boronic acid?

The InChIKey is NJXYBTMCTZAUEE-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Chloropyridine-3-boronic acid?

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

What is the CAS number of 5-Chloropyridine-3-boronic acid?

The CAS number is 872041-85-5.

What is the European Community (EC) Number of 5-Chloropyridine-3-boronic acid?

The European Community (EC) Number is 677-212-0.

Is 5-Chloropyridine-3-boronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 872041-85-5
• 1035267-01-6

• 1035267-02-7

Reference: [1]Patent: WO2008/76046,2008,A1 .Location in patent: Page/Page column 152-153

Downstream Synthesis Route 2

• 872041-85-5
• 1224436-05-8

• 1224434-60-9

Reference: [1]Patent: US2010/105700,2010,A1 .Location in patent: Page/Page column 50

Downstream Synthesis Route 3

• 872041-85-5
• 1224436-15-0

• 1224434-90-5

Reference: [1]Patent: US2010/105700,2010,A1 .Location in patent: Page/Page column 59

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