2,6-Dimethyl-pyridine-4-boronic acid

• Catalog Number: ACM846548445
• Product Name: 2,6-Dimethyl-pyridine-4-boronic acid
• CAS: 846548-44-5
• Category: Heterocyclic Organic Compound
• Synonyms: 2,6-Dimethyl-pyridine-4-boronic acid;6-diMethylpyridin-4-yl-4-boronic acid;(2,6-DiMethylpyridin-4-yl)boronic acid;2,6-diMethylpyridin-4-yl-4-boronic acid;B-(2,6-dimethyl-4-pyridinyl)-Boronic acid
• IUPAC Name: (2,6-dimethylpyridin-4-yl)boronic acid
• Molecular Weight: 150.97g/mol
• Molecular Formula: C7H10BNO2
• Canonical SMILES: B(C1=CC(=NC(=C1)C)C)(O)O
• InChI: InChI=1S/C7H10BNO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4,10-11H,1-2H3
• InChI Key: ALGDKINLACWIRM-UHFFFAOYSA-N
• Complexity: 122
• Covalently-Bonded Unit Count: 1
• Exact Mass: 151.080459g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 151.080459g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2,6-Dimethyl-pyridine-4-boronic acid?

The molecular formula of 2,6-Dimethyl-pyridine-4-boronic acid is C7H10BNO2.

When was the substance created and modified in PubChem?

The substance was created on 2007-12-06 and modified on 2023-12-30 in PubChem.

What is the IUPAC name of 2,6-Dimethyl-pyridine-4-boronic acid?

The IUPAC name is (2,6-dimethylpyridin-4-yl)boronic acid.

What is the Canonical SMILES representation of 2,6-Dimethyl-pyridine-4-boronic acid?

The Canonical SMILES representation is B(C1=CC(=NC(=C1)C)C)(O)O.

How many hydrogen bond donor counts does 2,6-Dimethyl-pyridine-4-boronic acid have?

2 hydrogen bond donor counts.

What is the exact mass of 2,6-Dimethyl-pyridine-4-boronic acid?

The exact mass is 151.0804587 g/mol.

What is the topological polar surface area of 2,6-Dimethyl-pyridine-4-boronic acid?

The topological polar surface area is 53.4 Å2.

How many heavy atoms are present in 2,6-Dimethyl-pyridine-4-boronic acid?

There are 11 heavy atoms in the compound.

Does 2,6-Dimethyl-pyridine-4-boronic acid have any defined atom stereocenters?

No, the compound does not have any defined atom stereocenters.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.