2-Methoxypyridine-3-boronic acid hydrate

• CAS: 163105-90-6
• Catalog Number: ACM163105906
• Category: Boronic Acids
• Molecular Weight: 152.95g/mol
• Molecular Formula: C6H8BNO3
• IUPAC Name: (2-methoxypyridin-3-yl)boronic acid
• SMILES: B(C1=C(N=CC=C1)OC)(O)O
• InChI: InChI=1S/C6H8BNO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4,9-10H,1H3
• InChI Key: NVOLYUXUHWBCRJ-UHFFFAOYSA-N
• Complexity: 122
• Covalently-Bonded Unit Count: 1
• Exact Mass: 153.059723g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 153.059723g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 2-Methoxypyridine-3-boronic acid hydrate?

The molecular formula is C6H10BNO4.

What are the synonyms for 2-Methoxypyridine-3-boronic acid hydrate?

The synonyms are (2-Methoxypyridin-3-yl)boronic acid hydrate and (2-methoxypyridin-3-yl)boronic acid;hydrate.

What is the computed molecular weight of 2-Methoxypyridine-3-boronic acid hydrate?

The computed molecular weight is 170.96 g/mol.

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

The IUPAC name is (2-methoxypyridin-3-yl)boronic acid;hydrate.

What is the InChI of 2-Methoxypyridine-3-boronic acid hydrate?

The InChI is InChI=1S/C6H8BNO3.H2O/c1-11-6-5(7(9)10)3-2-4-8-6;/h2-4,9-10H,1H3;1H2.

What is the InChIKey of 2-Methoxypyridine-3-boronic acid hydrate?

The InChIKey is DHHSGONJRVICQW-UHFFFAOYSA-N.

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

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

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

The CAS number is 1256355-25-5.

What is the hydrogen bond donor count of 2-Methoxypyridine-3-boronic acid hydrate?

The hydrogen bond donor count is 3.

Is 2-Methoxypyridine-3-boronic acid hydrate a canonicalized compound?

Yes, it is canonicalized according to PubChem.