2-Chloropyridine-3-boronic acid

• CAS: 381248-04-0
• Catalog Number: ACM381248040
• Category: Boronic Acids
• Molecular Weight: 157.36g/mol
• Molecular Formula: C5H5BClNO2
• Synonyms: AKOS BRN-0504;2-CHLORO-3-PYRIDINYL-BORONIC ACID;2-CHLORO-3-PYRIDINEBORONIC ACID;2-CHLORO-3-PYRIDYL BORONIC ACID;2-CHLOROPYRIDINE-3-BORONIC ACID;2-CHLOROPYRIDIN-3-YLBORONIC ACID;3-Chlorpyridine-3-boronic acid;2-Chloro-5-Trimethoxyphenylboronic acid
• IUPAC Name: (2-chloropyridin-3-yl)boronic acid
• Canonical SMILES: B(C1=C(N=CC=C1)Cl)(O)O
• InChI: InChI=1S/C5H5BClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H
• InChI Key: VRDAOVQZVXYRNH-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-3-boronic acid?

The molecular formula is C5H5BClNO2.

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

The molecular weight is 157.36 g/mol.

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

The IUPAC name is (2-chloropyridin-3-yl)boronic acid.

What is the InChI of 2-Chloropyridine-3-boronic acid?

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

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

The InChIKey is VRDAOVQZVXYRNH-UHFFFAOYSA-N.

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

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

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

The CAS number is 381248-04-0.

What is the European Community (EC) number of 2-Chloropyridine-3-boronic acid?

The EC number is 624-435-6.

What is the ChEMBL ID of 2-Chloropyridine-3-boronic acid?

The ChEMBL ID is CHEMBL3236607.

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

Yes, 2-Chloropyridine-3-boronic acid is canonicalized.