2-Chloro-5-pyridineboronic acid pinacol ester

• CAS: 444120-94-9
• Catalog Number: ACM444120949
• Category: Other
• Molecular Weight: 239.51
• Molecular Formula: C₁₁H₁₅BClNO₂
• Synonyms: RARECHEM AK ML 0445;AKOS BRN-0198;6-CHLOROPYRIDINE-3-BORONIC ACID PINACOL ESTER;2-CHLORO-5-PYRIDYLBORONIC ACID PINACOL ESTER;2-CHLORO-5-PYRIDINEBORONIC ACID PINACOL ESTER;2-CHLOROPYRIDINE-5-BORONIC ACID, PINACOL ESTER;2-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2
• IUPAC Name: 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)Cl
• InChI Key: IEFBTHROULVUAH-UHFFFAOYSA-N
• Boiling Point: 328.3ºC at 760 mmHg
• Melting Point: 86-90ºC
• Density: 1.14 g/cm³
• Appearance: White to light yellow crystal powder
• Exact Mass: 239.08800
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: S26
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Chloro-5-pyridineboronic acid pinacol ester?

The molecular formula is C11H15BClNO2.

What is the molecular weight of 2-Chloro-5-pyridineboronic acid pinacol ester?

The molecular weight is 239.51 g/mol.

What is the IUPAC name of 2-Chloro-5-pyridineboronic acid pinacol ester?

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

What is the CAS number of 2-Chloro-5-pyridineboronic acid pinacol ester?

The CAS number is 444120-94-9.

How many hydrogen bond donor counts does 2-Chloro-5-pyridineboronic acid pinacol ester have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Chloro-5-pyridineboronic acid pinacol ester have?

It has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Chloro-5-pyridineboronic acid pinacol ester?

The topological polar surface area is 31.4Ų.

How many rotatable bond counts does 2-Chloro-5-pyridineboronic acid pinacol ester have?

It has 1 rotatable bond count.

Is 2-Chloro-5-pyridineboronic acid pinacol ester canonicalized?

Yes, it is canonicalized.

What is the complexity value of 2-Chloro-5-pyridineboronic acid pinacol ester?

The complexity value is 257.