6-Amino-4-chloropyridine-3-boronic Acid Pinacol Ester - CAS 944401-60-9
Catalog: |
BB041318 |
Product Name: |
6-Amino-4-chloropyridine-3-boronic Acid Pinacol Ester |
CAS: |
944401-60-9 |
Synonyms: |
4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine; 4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
IUPAC Name: | 4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
Description: | 6-Amino-4-chloropyridine-3-boronic Acid Pinacol Ester (CAS# 944401-60-9) is a useful research chemical. |
Molecular Weight: | 254.52 |
Molecular Formula: | C11H16ClN2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2Cl)N |
InChI: | InChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13/h5-6H,1-4H3,(H2,14,15) |
InChI Key: | UDJHTGSHJMSPRJ-UHFFFAOYSA-N |
MDL: | MFCD12923418 |
LogP: | 2.19760 |
Publication Number | Title | Priority Date |
AU-2012214413-A1 | Method of inhibiting hamartoma tumor cells | 20110211 |
EP-2673268-A1 | Method of inhibiting hamartoma tumor cells | 20110211 |
JP-2014505107-A | Methods for inhibiting hamartoma tumor cells | 20110211 |
US-2014309221-A1 | Method of inhibiting hamartoma tumor cells | 20110211 |
WO-2012109423-A1 | Method of inhibiting hamartoma tumor cells | 20110211 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.0993356 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.0993356 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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