2-(Trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester - CAS 1218790-39-6
Catalog: |
BB005279 |
Product Name: |
2-(Trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester |
CAS: |
1218790-39-6 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine |
Description: | 2-(Trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester (CAS# 1218790-39-6) is a useful research chemical. |
Molecular Weight: | 273.06 |
Molecular Formula: | C12H15F3NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)8-5-6-9(17-7-8)12(14,15)16/h5-7H,1-4H3 |
InChI Key: | SOMIPHAQTXODQM-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD11226774 |
LogP: | 2.39960 |
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 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2020216417-A1 | Inhibitors of fibroblast activation protein | 20190104 |
WO-2020142742-A1 | Inhibitors of fibroblast activation protein | 20190104 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.1147934 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.1147934 |
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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