4-Methyl-6-(trifluoromethyl)pyridine-3-boronic Acid Pinacol Ester - CAS 1612287-99-6
Catalog: |
BB011718 |
Product Name: |
4-Methyl-6-(trifluoromethyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
1612287-99-6 |
Synonyms: |
4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine; 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine |
IUPAC Name: | 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine |
Description: | 4-Methyl-6-(trifluoromethyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 1612287-99-6) is a useful research chemical. |
Molecular Weight: | 287.09 |
Molecular Formula: | C13H17F3NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2C)C(F)(F)F |
InChI: | InChI=1S/C13H17BF3NO2/c1-8-6-10(13(15,16)17)18-7-9(8)14-19-11(2,3)12(4,5)20-14/h6-7H,1-5H3 |
InChI Key: | NHTGGJIAIAPGHR-UHFFFAOYSA-N |
LogP: | 2.70800 |
Publication Number | Title | Priority Date |
US-10647705-B2 | Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors | 20171114 |
US-2019144433-A1 | Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171114 |
US-2020216425-A1 | Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171114 |
BR-112020008258-A2 | new substituted biaryl compounds as indoleamine 2,3-dioxigenase (acid) inhibitors | 20171114 |
CN-111344287-A | Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors | 20171114 |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.1304434 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.1304434 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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