| CAS Number | 1142192-31-1 |
| Catalog Number | AG0090LK(AGN-PC-0WAO0F) |
| Chemical Name | 6-Bromo-5-pivalamidonicotinic acid |
| IUPAC Name | 6-bromo-5-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C11H13BrN2O3/c1-11(2,3)10(17)14-7-4-6(9(15)16)5-13-8(7)12/h4-5H,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | RYFWGNXFVJHQTO-UHFFFAOYSA-N |
| MDL Number | MFCD12026754 |
| Molecular Formula | C11H13BrN2O3 |
| Molecular Weight | 301.1365 |
| SMILES | O=C(C(C)(C)C)Nc1cc(cnc1Br)C(=O)O |
| Synonyms | 6-Bromo-5-pivalamidonicotinic acid,
1142192-31-1,
6-bromo-5-(2,2-dimethylpropanamido)pyridine-3-carboxylic acid,
AC1Q1LNF,
CTK7F3798,
DTXSID00673935,
9202AC,
MFCD12026754,
ZINC35270523,
AKOS015835762,
SC-34611,
TR-057732,
6-Bromo-5-pivalamidonicotinic acid, AldrichCPR,
A-6048,
C11H13BrN2O3,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.14g/mol |
| Monoisotopic Mass | 300.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number