| CAS Number | 1805506-21-1 |
| Catalog Number | AG01B25G |
| Chemical Name | 6-bromo-2-hydroxypyridine-3-carboxylic acid |
| IUPAC Name | 6-bromo-2-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C6H4BrNO3/c7-4-2-1-3(6(10)11)5(9)8-4/h1-2H,(H,8,9)(H,10,11) |
| InChI Key | YFHKLJZXZABYPU-UHFFFAOYSA-N |
| MDL Number | MFCD28741318 |
| Molecular Formula | C6H4BrNO3 |
| Molecular Weight | 218.0049 |
| SMILES | O=C(C1=CC=C(Br)NC1=O)O |
| Synonyms | 6-Bromo-2-hydroxynicotinic acid,
6-Bromo-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
6-bromo-2-hydroxypyridine-3-carboxylic acid,
1805506-21-1,
SCHEMBL10769117,
ZINC148052220,
N/A,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.006g/mol |
| Monoisotopic Mass | 216.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number