| CAS Number | 960324-86-1 |
| Catalog Number | AG01B7CK |
| Chemical Name | 6-Methanesulfonamidopyridine-3-carboxylic acid |
| IUPAC Name | 6-(methanesulfonamido)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H8N2O4S/c1-14(12,13)9-6-3-2-5(4-8-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11) |
| InChI Key | NCLLBFUFTPPKAP-UHFFFAOYSA-N |
| MDL Number | MFCD14619235 |
| Molecular Formula | C7H8N2O4S |
| Molecular Weight | 216.2144 |
| SMILES | O=C(C1=CC=C(NS(=O)(C)=O)N=C1)O |
| Synonyms | 960324-86-1,
6-methanesulfonamidopyridine-3-carboxylic acid,
6-(methylsulfonamido)nicotinic acid,
SCHEMBL731875,
NCLLBFUFTPPKAP-UHFFFAOYSA-N,
ZINC41042294,
AKOS009159121,
3-Pyridinecarboxylic acid, 6-[(methylsulfonyl)amino]-,
Z2658864236,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.211g/mol |
| Monoisotopic Mass | 216.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number