| CAS Number | 1308677-22-6 |
| Catalog Number | AG01DV81 |
| Chemical Name | 4-(Aminosulfonyl)-pyridine-2-carboxylic acid |
| IUPAC Name | 4-sulfamoylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C6H6N2O4S/c7-13(11,12)4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)(H2,7,11,12) |
| InChI Key | IGHCPTQYPZLSJG-UHFFFAOYSA-N |
| MDL Number | MFCD20489511 |
| Molecular Formula | C6H6N2O4S |
| Molecular Weight | 202.1878 |
| SMILES | NS(=O)(=O)C1=CC(=NC=C1)C(=O)O |
| Synonyms | 4-(Aminosulfonyl)-pyridine-2-carboxylic acid,
1308677-22-6,
ZINC79006728,
AKOS034141642,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.184g/mol |
| Monoisotopic Mass | 202.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
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