1-Ethyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester - CAS 1349734-00-4
Catalog: |
BB008048 |
Product Name: |
1-Ethyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester |
CAS: |
1349734-00-4 |
Synonyms: |
1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinone; 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
IUPAC Name: | 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
Description: | 1-Ethyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester (CAS# 1349734-00-4) is a useful research chemical. |
Molecular Weight: | 249.11 |
Molecular Formula: | C13H20NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)CC |
InChI: | InChI=1S/C13H20BNO3/c1-6-15-9-10(7-8-11(15)16)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3 |
InChI Key: | GARRLDCODNEYEC-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.16740 |
Publication Number | Title | Priority Date |
US-2021061809-A1 | Triazolopyrimidines as a2a / a2b inhibitors | 20190826 |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 20181214 |
KR-20200073499-A | Novel 3,3-difluoroallylamine derivatives or its salt and pharmaceutical compositions comprising the same | 20181214 |
KR-20210092312-A | 3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
Complexity: | 410 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.1536237 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.1536237 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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