2-(4-Pyridil)-5,5-dimethyl-1,3,2-dioxaboronane

• CAS: 845885-86-1
• Catalog Number: ACM845885861
• Category: Other
• Molecular Weight: 191.04g/mol
• Molecular Formula: C10H14BNO2
• IUPAC Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
• Canonical SMILES: B1(OCC(CO1)(C)C)C2=CN=CC=C2
• InChI: InChI=1S/C10H14BNO2/c1-10(2)7-13-11(14-8-10)9-4-3-5-12-6-9/h3-6H,7-8H2,1-2H3
• InChI Key: QMEKTOQBDDVVBE-UHFFFAOYSA-N
• Complexity: 189
• Covalently-Bonded Unit Count: 1
• Exact Mass: 191.111759g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 191.111759g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2-(4-Pyridil)-5,5-dimethyl-1,3,2-dioxaboronane?

The molecular formula is C10H14BNO2.

What is the IUPAC name of the compound?

The IUPAC name is 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine.

What is the molecular weight of the compound?

The molecular weight is 191.04 g/mol.

What is the InChIKey of the compound?

The InChIKey is QMEKTOQBDDVVBE-UHFFFAOYSA-N.

How many hydrogen bond acceptor count does the compound have?

The compound has 3 hydrogen bond acceptor count.

What is the exact mass of the compound?

The exact mass is 191.1117589 g/mol.

How many rotatable bond count does the compound have?

The compound has 1 rotatable bond count.

What is the topological polar surface area of the compound?

The topological polar surface area is 31.4Ų.

Does the compound have any defined atom stereocenter count?

No, the compound does not have any defined atom stereocenter count.

Is the compound canonicalized?

Yes, the compound is canonicalized.