| CAS Number | 1228666-33-8 |
| Catalog Number | AG00A5H2(AGN-PC-0WBQUW) |
| Chemical Name | 5-Bromo-2-pivalamidopyridin-4-yl pivalate |
| IUPAC Name | [5-bromo-2-(2,2-dimethylpropanoylamino)pyridin-4-yl] 2,2-dimethylpropanoate |
| InChI | InChI=1S/C15H21BrN2O3/c1-14(2,3)12(19)18-11-7-10(9(16)8-17-11)21-13(20)15(4,5)6/h7-8H,1-6H3,(H,17,18,19) |
| InChI Key | CZYFBLVXTCRMCV-UHFFFAOYSA-N |
| MDL Number | MFCD15530267 |
| Molecular Formula | C15H21BrN2O3 |
| Molecular Weight | 357.2428 |
| SMILES | CC(C)(C)C(=O)Nc1cc(c(cn1)Br)OC(=O)C(C)(C)C |
| Synonyms | 5-Bromo-2-pivalamidopyridin-4-yl pivalate,
1228666-33-8,
AC1Q1LP7,
CTK5I8932,
2652AD,
MFCD15530267,
ZINC39961268,
AKOS015837664,
TR-071253,
5-Bromo-2-pivalamidopyridin-4-yl pivalate, AldrichCPR,
5-bromo-2-(2,2-dimethylpropanamido)pyridin-4-yl 2,2-dimethylpropanoate,
C15H21BrN2O3,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.248g/mol |
| Monoisotopic Mass | 356.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number