| CAS Number | 1242268-19-4 |
| Catalog Number | AG00IZIA(AGN-PC-0WAZMU) |
| Chemical Name | 6-Bromo-N-neopentylnicotinamide |
| IUPAC Name | 6-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide |
| InChI | InChI=1S/C11H15BrN2O/c1-11(2,3)7-14-10(15)8-4-5-9(12)13-6-8/h4-6H,7H2,1-3H3,(H,14,15) |
| InChI Key | HEAHOFMAKWSCTD-UHFFFAOYSA-N |
| MDL Number | MFCD16710278 |
| Molecular Formula | C11H15BrN2O |
| Molecular Weight | 271.1536 |
| SMILES | BrC1=NC=C(C(=O)NCC(C)(C)C)C=C1 |
| Synonyms | 6-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide,
1242268-19-4,
6-Bromo-N-neopentylnicotinamide,
CTK5I7752,
bromodimethylpropylpyridinecarboxamide,
MFCD16710278,
ZINC52507952,
AKOS005765940,
GE-0021,
MCULE-1730237865,
RP15156,
KS-000025H0,
TR-020327,
6-chloro-N,N,2-trimethyl-4-pyrimidinamine,
58514-89-9,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.158g/mol |
| Monoisotopic Mass | 270.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number