4-(Trifluoromethyl)pyridine-3-boronic Acid Pinacol Ester - CAS 1310405-06-1
Catalog: |
BB007240 |
Product Name: |
4-(Trifluoromethyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
1310405-06-1 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine |
IUPAC Name: | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine |
Description: | 4-(Trifluoromethyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 1310405-06-1) is a useful research chemical. |
Molecular Weight: | 273.06 |
Molecular Formula: | C12H15F3NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2)C(F)(F)F |
InChI: | InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)9-7-17-6-5-8(9)12(14,15)16/h5-7H,1-4H3 |
InChI Key: | SDGOTRHPGTVUOZ-UHFFFAOYSA-N |
LogP: | 2.39960 |
Publication Number | Title | Priority Date |
WO-2019244049-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
AU-2019291490-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
EP-3810598-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
KR-20210022646-A | Cyanotriazole compounds and uses thereof | 20180619 |
AU-2016354661-A1 | Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors | 20151113 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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