| CAS Number | 1228431-18-2 |
| Catalog Number | AG009Y1G |
| Chemical Name | 6-Cyano-2-picoline-4-boronic acid pinacol ester |
| IUPAC Name | 6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C13H17BN2O2/c1-9-6-10(7-11(8-15)16-9)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3 |
| InChI Key | CRVOSNAOGTZJRV-UHFFFAOYSA-N |
| MDL Number | MFCD16995664 |
| Molecular Formula | C13H17BN2O2 |
| Molecular Weight | 244.0973 |
| SMILES | N#Cc1nc(C)cc(c1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1228431-18-2,
6-Cyano-2-picoline-4-boronic acid pinacol ester,
6-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINONITRILE,
SCHEMBL3387130,
ZINC200326642,
MB18736,
FT-0731351,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.101g/mol |
| Monoisotopic Mass | 244.138g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number