6-Fluoropyridine-3-boronic Acid Pinacol Ester - CAS 444120-95-0
Catalog: |
BB025602 |
Product Name: |
6-Fluoropyridine-3-boronic Acid Pinacol Ester |
CAS: |
444120-95-0 |
Synonyms: |
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 6-Fluoropyridine-3-boronic Acid Pinacol Ester (CAS# 444120-95-0) is a useful research chemical. |
Molecular Weight: | 223.05 |
Molecular Formula: | C11H15FNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)F |
InChI: | InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3 |
InChI Key: | ZKSRQMCKFLGPQU-UHFFFAOYSA-N |
Boiling Point: | 304.208 °C at 760 mmHg |
Melting Point: | 29-33 °C (lit.) |
Purity: | ≥ 95 % |
Density: | 1.1 g/cm3 |
MDL: | MFCD03412792 |
LogP: | 1.51990 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113321668-A | Synthesis of serpatatinib | 20210621 |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
PMID | Publication Date | Title | Journal |
22263894 | 20120308 | Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold | Journal of medicinal chemistry |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.1179870 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.1179870 |
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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