6-Cyanopyridine-2-boronic Acid Pinacol Ester - CAS 952402-79-8
Catalog: |
BB041655 |
Product Name: |
6-Cyanopyridine-2-boronic Acid Pinacol Ester |
CAS: |
952402-79-8 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarbonitrile; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile |
IUPAC Name: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile |
Description: | 6-Cyanopyridine-2-boronic Acid Pinacol Ester (CAS# 952402-79-8) is a useful research chemical. |
Molecular Weight: | 230.07 |
Molecular Formula: | C12H15N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)C#N |
InChI: | InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-7-5-6-9(8-14)15-10/h5-7H,1-4H3 |
InChI Key: | DPFGNHMAUFKOCZ-UHFFFAOYSA-N |
LogP: | 1.25248 |
Publication Number | Title | Priority Date |
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 |
KR-20210021019-A | Isoxazolyl ether derivatives as GABA A α5 PAM | 20180613 |
US-2021094945-A1 | New isoxazolyl ether derivatives as gaba a alpha5 pam | 20180613 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.1226579 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.1226579 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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