2-Chloropyridine-5-boronic acid

• Catalog Number: ACM444120916
• Product Name: 2-Chloropyridine-5-boronic acid
• CAS: 444120-91-6
• Category: Boronic Acids
• Synonyms: 2-CHLORO-5-PYRIDYL BORONIC ACID;2-CHLORO-5-PYRIDINEBORONIC ACID;2-CHLOROPYRIDIN-5-YLBORONIC ACID;2-CHLOROPYRIDINE-5-BORONIC ACID;(6-CHLOROPYRIDIN-3-YL)BORONIC ACID;6-CHLOROPYRIDIN-3-YL-3-BORONIC ACID;6-CHLOROPYRIDINE-3-BORONIC ACID;6-CHLORO-3-PYRIDINYLBOR
• IUPAC Name: (6-chloropyridin-3-yl)boronic acid
• Molecular Weight: 157.36g/mol
• Molecular Formula: C5H5BClNO2
• Canonical SMILES: B(C1=CN=C(C=C1)Cl)(O)O
• InChI: InChI=1S/C5H5BClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
• InChI Key: WPAPNCXMYWRTTL-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 2-Chloropyridine-5-boronic acid?

The molecular formula is C5H5BClNO2.

What is the molecular weight of 2-Chloropyridine-5-boronic acid?

The molecular weight is 157.36 g/mol.

What is the IUPAC name of 2-Chloropyridine-5-boronic acid?

The IUPAC name is (6-chloropyridin-3-yl)boronic acid.

What is the InChI of 2-Chloropyridine-5-boronic acid?

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

What is the InChIKey of 2-Chloropyridine-5-boronic acid?

The InChIKey is WPAPNCXMYWRTTL-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chloropyridine-5-boronic acid?

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

What is the CAS number of 2-Chloropyridine-5-boronic acid?

The CAS number is 444120-91-6.

What is the European Community (EC) number of 2-Chloropyridine-5-boronic acid?

The EC number is 628-524-0.

What is the ChEMBL ID of 2-Chloropyridine-5-boronic acid?

The ChEMBL ID is CHEMBL3236617.

Is 2-Chloropyridine-5-boronic acid a canonicalized compound?

Yes, it is a canonicalized compound.