3-Pyridineboronic acid pinacol ester

• CAS: 329214-79-1
• Catalog Number: ACM329214791
• Category: Other
• Molecular Weight: 205.06g/mol
• Molecular Formula: C11H16BNO2
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2
• InChI: InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3
• InChI Key: XEMDFESAXKSEGI-UHFFFAOYSA-N
• Complexity: 227
• Covalently-Bonded Unit Count: 1
• Exact Mass: 205.127409g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 15
• Monoisotopic Mass: 205.127409g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 3-Pyridineboronic acid pinacol ester?

The molecular formula of 3-Pyridineboronic acid pinacol ester is C11H16BNO2.

What is the molecular weight of 3-Pyridineboronic acid pinacol ester?

The molecular weight of 3-Pyridineboronic acid pinacol ester is 205.06 g/mol.

What is the IUPAC name of 3-Pyridineboronic acid pinacol ester?

The IUPAC name of 3-Pyridineboronic acid pinacol ester is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the InChI of 3-Pyridineboronic acid pinacol ester?

The InChI of 3-Pyridineboronic acid pinacol ester is InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3.

What is the InChIKey of 3-Pyridineboronic acid pinacol ester?

The InChIKey of 3-Pyridineboronic acid pinacol ester is XEMDFESAXKSEGI-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Pyridineboronic acid pinacol ester?

The canonical SMILES of 3-Pyridineboronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2.

What is the CAS number of 3-Pyridineboronic acid pinacol ester?

The CAS number of 3-Pyridineboronic acid pinacol ester is 329214-79-1.

What is the EC number of 3-Pyridineboronic acid pinacol ester?

The EC number of 3-Pyridineboronic acid pinacol ester is 627-672-3.

What is the DSSTox Substance ID of 3-Pyridineboronic acid pinacol ester?

The DSSTox Substance ID of 3-Pyridineboronic acid pinacol ester is DTXSID90370426.

Is 3-Pyridineboronic acid pinacol ester a canonicalized compound?

Yes, 3-Pyridineboronic acid pinacol ester is a canonicalized compound.