| CAS Number | 1242268-03-6 |
| Catalog Number | AG00ISCW(AGN-PC-0WAZHJ) |
| Chemical Name | 5-Bromo-2-chloroisonicotinamide |
| IUPAC Name | 5-bromo-2-chloropyridine-4-carboxamide |
| InChI | InChI=1S/C6H4BrClN2O/c7-4-2-10-5(8)1-3(4)6(9)11/h1-2H,(H2,9,11) |
| InChI Key | CJTIULSLWRMLOB-UHFFFAOYSA-N |
| MDL Number | MFCD16622808 |
| Molecular Formula | C6H4BrClN2O |
| Molecular Weight | 235.4658 |
| SMILES | c1(cnc(cc1C(=O)N)Cl)Br |
| Synonyms | 5-bromo-2-chloroisonicotinamide,
1242268-03-6,
5-bromo-2-chloropyridine-4-carboxamide,
bromochloroisonicotinamide,
SCHEMBL10287903,
CTK6H4102,
KS-00001Q3N,
MFCD16622808,
ZINC52507842,
AKOS015835836,
FE-0230,
MCULE-2909674457,
RP13532,
TR-071362,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.465g/mol |
| Monoisotopic Mass | 233.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number