5-Bromopyridine-3-boronic Acid Pinacol Ester - CAS 452972-13-3
Catalog: |
BB025827 |
Product Name: |
5-Bromopyridine-3-boronic Acid Pinacol Ester |
CAS: |
452972-13-3 |
Synonyms: |
3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 5-Bromopyridine-3-boronic Acid Pinacol Ester (CAS# 452972-13-3) is a useful research chemical. |
Molecular Weight: | 283.96 |
Molecular Formula: | C11H15BrNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)Br |
InChI: | InChI=1S/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8/h5-7H,1-4H3 |
InChI Key: | JSUVNRWVYRZAOS-UHFFFAOYSA-N |
Boiling Point: | 341.4 °C at 760 mmHg |
Melting Point: | 71-75 °C |
Purity: | 90 % |
Density: | 1.34 g/cm3 |
MDL: | MFCD06798248 |
LogP: | 2.14330 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019233425-A1 | Gcn2 inhibitors and uses thereof | 20180129 |
WO-2019148132-A1 | Gcn2 inhibitors and uses thereof | 20180129 |
AU-2019211485-A1 | GCN2 inhibitors and uses thereof | 20180129 |
CN-111918651-A | GCN2 inhibitors and uses thereof | 20180129 |
EP-3746075-A1 | Gcn2 inhibitors and uses thereof | 20180129 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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