2-Acetamidopyridine-4-boronic Acid Pinacol Ester - CAS 1220220-21-2
Catalog: |
BB005328 |
Product Name: |
2-Acetamidopyridine-4-boronic Acid Pinacol Ester |
CAS: |
1220220-21-2 |
Synonyms: |
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide; N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide |
IUPAC Name: | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide |
Description: | 2-Acetamidopyridine-4-boronic Acid Pinacol Ester (CAS# 1220220-21-2) is a useful research chemical compound. |
Molecular Weight: | 262.11 |
Molecular Formula: | C13H19N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)NC(=O)C |
InChI: | InChI=1S/C13H19BN2O3/c1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H,15,16,17) |
InChI Key: | LXSZMGQQXZXQKX-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.98870 |
Publication Number | Title | Priority Date |
US-2020223844-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
TW-202039486-A | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
CN-113195490-A | Triazolopyridin-3-one or salt thereof and pharmaceutical composition comprising same | 20181214 |
US-11091479-B2 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
TW-202003508-A | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.1488726 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.1488726 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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