5-(Ethoxycarbonyl)pyridine-3-boronic Acid Pinacol Ester - CAS 916326-10-8
Catalog: |
BB040291 |
Product Name: |
5-(Ethoxycarbonyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
916326-10-8 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarboxylic acid ethyl ester; ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate |
IUPAC Name: | ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate |
Description: | 5-(Ethoxycarbonyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 916326-10-8) is a useful research chemical. |
Molecular Weight: | 277.12 |
Molecular Formula: | C14H20NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(=O)OCC |
InChI: | InChI=1S/C14H20BNO4/c1-6-18-12(17)10-7-11(9-16-8-10)15-19-13(2,3)14(4,5)20-15/h7-9H,6H2,1-5H3 |
InChI Key: | ZKGQTSJZFBTEOB-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD04117940 |
LogP: | 1.55750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3400221-A1 | Pyridine and pyridimine compounds as pi3k-gamma inhibitors | 20160105 |
TW-201734003-A | Pyridine and pyrimidine compounds as PI3K-γ inhibitors | 20160105 |
US-2017190689-A1 | Pyridine and pyridimine compounds as pi3k-gamma inhibitors | 20160105 |
US-2019359592-A1 | Pyridine and pyridimine compounds as pi3k-gamma inhibitors | 20160105 |
WO-2017120194-A1 | Pyridine and pyridimine compounds as pi3k-gamma inhibitors | 20160105 |
Complexity: | 356 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.1485383 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.1485383 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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