| CAS Number | 1228666-45-2 |
| Catalog Number | AG009WXA(AGN-PC-0WAO57) |
| Chemical Name | N-(5-Bromo-2-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl)pivalamide |
| IUPAC Name | N-[5-bromo-2-(3-hydroxyprop-1-ynyl)pyridin-3-yl]-2,2-dimethylpropanamide |
| InChI | InChI=1S/C13H15BrN2O2/c1-13(2,3)12(18)16-11-7-9(14)8-15-10(11)5-4-6-17/h7-8,17H,6H2,1-3H3,(H,16,18) |
| InChI Key | XOZAOYOZEWOALO-UHFFFAOYSA-N |
| MDL Number | MFCD16628220 |
| Molecular Formula | C13H15BrN2O2 |
| Molecular Weight | 311.1744 |
| SMILES | OCC#Cc1ncc(cc1NC(=O)C(C)(C)C)Br |
| Synonyms | N-(5-Bromo-2-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl)pivalamide,
1228666-45-2,
AC1Q1LNJ,
CTK8A1022,
2662AD,
2663AD,
MFCD16628220,
ZINC66054222,
AKOS015834414,
K-1752,
N-(5-Bromo-2-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl)pivalamide, AldrichCPR,
N-[5-bromo-2-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl]-2,2-dimethylpropanamide,
C13H15BrN2O2,
C11H13FN2O3,
5-Fluoro-2-pivalamidonicotinic acid,
1228666-46-3,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.179g/mol |
| Monoisotopic Mass | 310.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number