2-Amino-3-cyanopyridine-5-boronic Acid Pinacol Ester - CAS 1246372-66-6
Catalog: |
BB005953 |
Product Name: |
2-Amino-3-cyanopyridine-5-boronic Acid Pinacol Ester |
CAS: |
1246372-66-6 |
Synonyms: |
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile; 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile |
IUPAC Name: | 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile |
Description: | 2-Amino-3-cyanopyridine-5-boronic Acid Pinacol Ester (CAS# 1246372-66-6 ) is a useful research chemical. |
Molecular Weight: | 245.09 |
Molecular Formula: | C12H16N3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C#N |
InChI: | InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-5-8(6-14)10(15)16-7-9/h5,7H,1-4H3,(H2,15,16) |
InChI Key: | KRNXYPYYVHFVQS-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD16995200 |
LogP: | 0.76478 |
Publication Number | Title | Priority Date |
JP-2018512399-A | Tricyclic DLK inhibitors and uses thereof | 20150309 |
JP-6701225-B2 | Tricyclic DLK inhibitors and uses thereof | 20150309 |
US-10131675-B2 | Tricyclic DLK inhibitors and uses thereof | 20150309 |
US-2017369510-A1 | Tricyclic dlk inhibitors and uses thereof | 20150309 |
CN-107406462-B | Tricyclic DLK inhibitors and uses thereof | 20150309 |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.1335569 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.1335569 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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