3-Bromopyridine-5-boronic acid

• CAS: 452972-09-7
• Catalog Number: ACM452972097
• Category: Boronic Acids
• Molecular Weight: 201.82g/mol
• Molecular Formula: C5H5BBrNO2
• IUPAC Name: (5-bromopyridin-3-yl)boronic acid
• Canonical SMILES: B(C1=CC(=CN=C1)Br)(O)O
• InChI: InChI=1S/C5H5BBrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
• InChI Key: ICCGFOKNFZWCTJ-UHFFFAOYSA-N
• Complexity: 114
• Covalently-Bonded Unit Count: 1
• Exact Mass: 200.95967g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 200.95967g/mol
• Rotatable Bond Count: 1

Custom Q&A

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

The molecular formula of 3-Bromopyridine-5-boronic acid is C5H5BBrNO2.

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

The molecular weight of 3-Bromopyridine-5-boronic acid is 201.82 g/mol.

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

The IUPAC name of 3-Bromopyridine-5-boronic acid is (5-bromopyridin-3-yl)boronic acid.

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

The InChI of 3-Bromopyridine-5-boronic acid is InChI=1S/C5H5BBrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H.

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

The InChIKey of 3-Bromopyridine-5-boronic acid is ICCGFOKNFZWCTJ-UHFFFAOYSA-N.

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

The canonical SMILES of 3-Bromopyridine-5-boronic acid is B(C1=CC(=CN=C1)Br)(O)O.

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

The CAS number of 3-Bromopyridine-5-boronic acid is 452972-09-7.

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

The European Community (EC) number of 3-Bromopyridine-5-boronic acid is 625-866-2.

What is the DSSTox Substance ID of 3-Bromopyridine-5-boronic acid?

The DSSTox Substance ID of 3-Bromopyridine-5-boronic acid is DTXSID00396798.

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

Yes, 3-Bromopyridine-5-boronic acid is a canonicalized compound according to PubChem.