6-(Methylamino)pyridine-3-boronic acid pinacol ester - CAS 1005009-98-2
Catalog: |
BB000241 |
Product Name: |
6-(Methylamino)pyridine-3-boronic acid pinacol ester |
CAS: |
1005009-98-2 |
Synonyms: |
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine; N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
IUPAC Name: | N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
Description: | 6-(Methylamino)pyridine-3-boronic acid pinacol ester (CAS# 1005009-98-2) is a useful research chemical. |
Molecular Weight: | 234.1 |
Molecular Formula: | C12H19BN2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NC |
InChI: | InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(14-5)15-8-9/h6-8H,1-5H3,(H,14,15) |
InChI Key: | ANKKLMBIFAUZOP-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 1.49550 |
Publication Number | Title | Priority Date |
US-2020078364-A1 | Combination therapy with a phosphoinositide 3-kinase inhibitor with a zinc binding moiety | 20180911 |
KR-20210087438-A | Combination therapy with phosphoinositide 3-kinase inhibitors with zinc binding moieties | 20180911 |
TW-202016106-A | Novel isoxazolate derivatives as GABA-Aα5 forward ectopic regulator (PAM) | 20180613 |
BR-112020025355-A2 | ISOXAZOLYL Ether DERIVATIVES AS GABA TO ALFA5 PAM | 20180613 |
CN-112424196-A | Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM | 20180613 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.153958 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.153958 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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