| CAS Number | 951885-78-2 |
| Catalog Number | AG006PAT(AGN-PC-0WA6BN) |
| Chemical Name | 2-Bromo-N-ethylisonicotinamide |
| IUPAC Name | 2-bromo-N-ethylpyridine-4-carboxamide |
| InChI | InChI=1S/C8H9BrN2O/c1-2-10-8(12)6-3-4-11-7(9)5-6/h3-5H,2H2,1H3,(H,10,12) |
| InChI Key | GCWDXUNXHMTGQF-UHFFFAOYSA-N |
| MDL Number | MFCD09878429 |
| Molecular Formula | C8H9BrN2O |
| Molecular Weight | 229.0739 |
| SMILES | BrC1=CC(=CC=N1)C(NCC)=O |
| Synonyms | 2-BROMO-N-ETHYLISONICOTINAMIDE,
951885-78-2,
2-bromo-N-ethylpyridine-4-carboxamide,
ACMC-209rxt,
CTK5H7533,
DTXSID30674319,
ANW-40479,
MFCD09878429,
ZINC38536914,
AKOS015834209,
N-ethyl 2-bromo-4-pyridinecarboxamide,
RTR-029754,
AJ-95722,
ST2404271,
TR-029754,
V9590,
B-5478,
I14-24985,
C8H9BrN2O,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.077g/mol |
| Monoisotopic Mass | 227.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number