6-Pivalamidopyridine-3-boronic Acid Pinacol Ester - CAS 1092119-20-4
Catalog: |
BB002391 |
Product Name: |
6-Pivalamidopyridine-3-boronic Acid Pinacol Ester |
CAS: |
1092119-20-4 |
Synonyms: |
2,2-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide; 2,2-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide |
IUPAC Name: | 2,2-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide |
Description: | 6-Pivalamidopyridine-3-boronic Acid Pinacol Ester (CAS# 1092119-20-4 ) is a useful research chemical. |
Molecular Weight: | 304.19 |
Molecular Formula: | C16H25N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NC(=O)C(C)(C)C |
InChI: | InChI=1S/C16H25BN2O3/c1-14(2,3)13(20)19-12-9-8-11(10-18-12)17-21-15(4,5)16(6,7)22-17/h8-10H,1-7H3,(H,18,19,20) |
InChI Key: | VEJSJRSRWKQFCJ-UHFFFAOYSA-N |
Density: | 1.105 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD13191341 |
LogP: | 3.01490 |
Publication Number | Title | Priority Date |
US-2012094982-A1 | 1,4-benzodiazepinone compounds and their use in treating cancer | 20090417 |
US-8604023-B2 | 1,4-benzodiazepinone compounds and their use in treating cancer | 20090417 |
WO-2010121164-A2 | 1,4-benzodiazepinone compounds and their use in treating cancer | 20090417 |
Complexity: | 416 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.1958228 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.1958228 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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