2-Chloropyridine-4-boronic acid pinacol ester

• CAS: 458532-84-8
• Catalog Number: ACM458532848
• Category: Boronic Esters
• Molecular Weight: 239.51g/mol
• Molecular Formula: C11H15BClNO2
• Synonyms: 2-CHLORO-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE;2-CHLOROPYRIDINE-4-BORONIC ACID, PINACOL ESTER;2-CHLOROPYRIDINE-4-BORONIC PINACOL ESTER;2-CHLORO-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABROLAN-2-YL)-PYRIDINE;2-CHLOROPYRIDIN-4-YLBORONIC ACID P
• IUPAC Name: 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)Cl
• InChI: InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3
• InChI Key: UUEQDBHKMOFLDP-UHFFFAOYSA-N
• Complexity: 257
• Covalently-Bonded Unit Count: 1
• Exact Mass: 239.088437g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 239.088437g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2-Chloropyridine-4-boronic acid pinacol ester?

The molecular formula is C11H15BClNO2.

What is the IUPAC name of the compound?

The IUPAC name is 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3.

What is the InChIKey of the compound?

The InChIKey is UUEQDBHKMOFLDP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)Cl.

What is the CAS number of the compound?

The CAS number is 458532-84-8.

What is the molecular weight of the compound?

The molecular weight is 239.51 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 1 rotatable bond count.