3-Bromopyridine-4-boronic Acid Pinacol Ester - CAS 458532-92-8
Catalog: |
BB026000 |
Product Name: |
3-Bromopyridine-4-boronic Acid Pinacol Ester |
CAS: |
458532-92-8 |
Synonyms: |
3-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 3-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 3-Bromopyridine-4-boronic Acid Pinacol Ester (CAS# 458532-92-8) is a useful research chemical compound. |
Molecular Weight: | 283.96 |
Molecular Formula: | C11H15BrNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)Br |
InChI: | InChI=1S/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13/h5-7H,1-4H3 |
InChI Key: | ICPLYAGDLDLVLB-UHFFFAOYSA-N |
Boiling Point: | 340.6 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
MDL: | MFCD06798250 |
LogP: | 2.14330 |
Publication Number | Title | Priority Date |
TW-201714883-A | Heterocyclic compound | 20151016 |
EP-3205645-A1 | Heterocyclic compound | 20140418 |
EP-3205645-B1 | Heterocyclic compound | 20140418 |
US-2017044132-A1 | Heterocyclic compound | 20140418 |
US-9957251-B2 | Heterocyclic compound | 20140418 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.03792 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.03792 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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