| CAS Number | 1261079-59-7 |
| Catalog Number | AG00IZTK(AGN-PC-0WB0V2) |
| Chemical Name | 5-Bromo-6-methoxynicotinamide |
| IUPAC Name | 5-bromo-6-methoxypyridine-3-carboxamide |
| InChI | InChI=1S/C7H7BrN2O2/c1-12-7-5(8)2-4(3-10-7)6(9)11/h2-3H,1H3,(H2,9,11) |
| InChI Key | JXLMIURJCGSMIL-UHFFFAOYSA-N |
| MDL Number | MFCD18157669 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | [Br]C1(=C(OC)N=CC(=C1)C(=O)N) |
| Synonyms | 5-bromo-6-methoxypyridine-3-carboxamide,
1261079-59-7,
5-Bromo-6-methoxynicotinamide,
bromomethoxypyridinecarboxamide,
CTK7B2128,
KS-000027PO,
ZX-RL003128,
MFCD18157669,
ZINC63110925,
AKOS015834610,
FCH1363865,
MCULE-3180061708,
ME-0705,
RP13284,
OR303724,
TR-071782,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number