| CAS Number | 2096334-48-2 |
| Catalog Number | AG01EHHA |
| Chemical Name | 2,3-(Dimethoxycarbonyl)pyridine-5-boronic acid, pinacol ester |
| IUPAC Name | dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-dicarboxylate |
| InChI | InChI=1S/C15H20BNO6/c1-14(2)15(3,4)23-16(22-14)9-7-10(12(18)20-5)11(17-8-9)13(19)21-6/h7-8H,1-6H3 |
| InChI Key | XQADPWCHQNIBRQ-UHFFFAOYSA-N |
| MDL Number | MFCD18087730 |
| Molecular Formula | C15H20BNO6 |
| Molecular Weight | 321.1334 |
| SMILES | COC(=O)c1cc(cnc1C(=O)OC)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2096334-48-2,
2,3-(Dimethoxycarbonyl)pyridine-5-boronic acid, pinacol ester,
Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-dicarboxylate,
MFCD18087730,
ZINC169936470,
B-9683,
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| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.136g/mol |
| Monoisotopic Mass | 321.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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