1-Methyl-2-oxo-1,2-dihydropyridine-3-boronic Acid Pinacol Ester - CAS 1314140-36-7
Catalog: |
BB007316 |
Product Name: |
1-Methyl-2-oxo-1,2-dihydropyridine-3-boronic Acid Pinacol Ester |
CAS: |
1314140-36-7 |
Synonyms: |
1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinone; 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
IUPAC Name: | 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
Description: | 1-Methyl-2-oxo-1,2-dihydropyridine-3-boronic Acid Pinacol Ester (CAS# 1314140-36-7) is a useful research chemical. |
Molecular Weight: | 235.09 |
Molecular Formula: | C12H18NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CN(C2=O)C |
InChI: | InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-14(5)10(9)15/h6-8H,1-5H3 |
InChI Key: | PNRZXUANEKDDHK-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2020251974-A1 | Smarca inhibitors and uses thereof | 20190610 |
CN-111163780-A | Heterocyclic compounds as adenosine antagonists | 20170718 |
KR-20200041315-A | Heterocyclic compounds as adenosine antagonists | 20170718 |
US-2019023666-A1 | Heterocyclic compounds as adenosine antagonists | 20170718 |
JP-2020527588-A | Heterocyclic compounds as adenosine antagonists | 20170718 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.1379736 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.1379736 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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