1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester - CAS 1596367-55-3
Catalog: |
BB011557 |
Product Name: |
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester |
CAS: |
1596367-55-3 |
Synonyms: |
1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinone; 1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
IUPAC Name: | 1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
Description: | 1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester (CAS# 1596367-55-3 ) is a useful research chemical. |
Molecular Weight: | 261.12 |
Molecular Formula: | C14H20NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)C3CC3 |
InChI: | InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-8-12(17)16(9-10)11-6-7-11/h5,8-9,11H,6-7H2,1-4H3 |
InChI Key: | PSQKCGSTAZGHCJ-UHFFFAOYSA-N |
LogP: | 1.48240 |
Publication Number | Title | Priority Date |
WO-2020052631-A1 | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
CN-111601809-A | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
CN-111635408-A | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
TW-202024089-A | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
US-10858365-B2 | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
Complexity: | 461 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.1536237 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.1536237 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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