Methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

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CAS
947249-44-7
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Purity
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Catalog Number

ACM947249447

Product Name

Methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

Structure

CAS

947249-44-7

What is the molecular formula of the compound?

The molecular formula of the compound is C13H19BN2O4.

What are the synonyms for the compound?

The synonyms for the compound are "947249-44-7 Methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate" and "methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate".

What is the molecular weight of the compound?

The molecular weight of the compound is 278.11 g/mol.

What is the IUPAC name of the compound?

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

What is the InChI of the compound?

The InChI of the compound is "InChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)8-6-9(11(17)18-5)10(15)16-7-8/h6-7H,1-5H3,(H2,15,16)".

What is the InChIKey of the compound?

The InChIKey of the compound is "CCGFBYOYKYWINY-UHFFFAOYSA-N".

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is "B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(=O)OC".

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 1.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 6.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 83.7 ?2.

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