947249-13-0 Purity
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Specification
The molecular formula of the compound is C13H19BN2O4.
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".
The molecular weight of the compound is 278.11 g/mol.
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".
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)".
The InChIKey of the compound is "CCGFBYOYKYWINY-UHFFFAOYSA-N".
The canonical SMILES of the compound is "B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(=O)OC".
The hydrogen bond donor count of the compound is 1.
The hydrogen bond acceptor count of the compound is 6.
The topological polar surface area of the compound is 83.7 ?2.