2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester - CAS 1150561-61-7
Catalog: |
BB003475 |
Product Name: |
2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester |
CAS: |
1150561-61-7 |
Synonyms: |
2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine; 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine |
IUPAC Name: | 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine |
Description: | 2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester (CAS# 1150561-61-7) is a useful building block in the synthesis of PI3K inhibitors. |
Molecular Weight: | 303.09 |
Molecular Formula: | C13H17F3NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)C(F)(F)F |
InChI: | InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)8-6-9(13(15,16)17)10(19-5)18-7-8/h6-7H,1-5H3 |
InChI Key: | GNJXUHQYHOJYMP-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD12026094 |
LogP: | 2.40820 |
Publication Number | Title | Priority Date |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
JP-2019534261-A | Spiro ring compounds | 20161005 |
US-2020207776-A1 | Spirocyclic compounds | 20161005 |
US-10934304-B2 | Spirocyclic compounds | 20161005 |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.1253581 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.1253581 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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