5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine-2-carboxylic acid methylamide

• CAS: 945863-21-8
• Catalog Number: ACM945863218
• Category: Boro-Amino Acids
• Molecular Weight: 262.1
• Molecular Formula: C₁₃H₁₉BN₂O₃
• Synonyms: 2-(N-Methylaminocarbonyl)-5-pyridineboronic acid pincol ester;2-(N-Methylaminocarbonyl)pyridine-5-boronic acidpincol ester;2-(N-Methylaminocarbonyl)pyridine-5-boronic acid pinacol ester
• IUPAC Name: N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(=O)NC
• InChI Key: LUMBLRWRRONQMO-UHFFFAOYSA-N
• Exact Mass: 262.14900
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide.

What is the molecular formula of the compound?

The molecular formula of the compound is C13H19BN2O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 262.11 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

What is the exact mass of the compound?

The exact mass of the compound is 262.1488726 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 60.4 Ų.

How many heavy atoms does the compound contain?

The compound contains 19 heavy atoms.

Does the compound have any defined atom or bond stereocenters?

The compound does not have any defined atom or bond stereocenters.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

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• 945863-21-8

Reference: [1] Patent: WO2010/8847, 2010, A2, . Location in patent: Page/Page column 125-126