| CAS Number | 1369354-33-5 |
| Catalog Number | AG01AFID(AGN-PC-0WO456) |
| Chemical Name | 5-Bromo-2-methoxy-6-methylpyridine-3-carboxylic acid |
| IUPAC Name | 5-bromo-2-methoxy-6-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H8BrNO3/c1-4-6(9)3-5(8(11)12)7(10-4)13-2/h3H,1-2H3,(H,11,12) |
| InChI Key | QDJOAUYUIHAUFM-UHFFFAOYSA-N |
| MDL Number | MFCD22033941 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | BrC=1C=C(C(=NC1C)OC)C(=O)O |
| Synonyms | 5-bromo-2-methoxy-6-methylpyridine-3-carboxylic acid,
1369354-33-5,
SCHEMBL9952846,
ZINC95883897,
AKOS022680501,
MCULE-9179472858,
NE33071,
Z1815156923,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number