| CAS Number | 942511-67-3 |
| Catalog Number | AG01BD6N |
| Chemical Name | 5-Chloro-6-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid |
| IUPAC Name | 5-chloro-6-(4-chloroanilino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8Cl2N2O2/c13-8-1-3-9(4-2-8)16-11-10(14)5-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18) |
| InChI Key | CRPUIOAIHYYSNO-UHFFFAOYSA-N |
| MDL Number | MFCD11521981 |
| Molecular Formula | C12H8Cl2N2O2 |
| Molecular Weight | 283.1101 |
| SMILES | OC(C1=CC(Cl)=C(NC2=CC=C(Cl)C=C2)N=C1)=O |
| Synonyms | 942511-67-3,
5-chloro-6-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid,
5-Chloro-6-(4-chlorophenylamino)nicotinic acid,
SCHEMBL990334,
CRPUIOAIHYYSNO-UHFFFAOYSA-N,
ZINC21031268,
AKOS009173807,
MCULE-5348096751,
NE46585,
5-Chloro-6-(4-chloro-phenylamino)nicotinic acid,
5-chloro-6-(4-chloro-phenylamino)-nicotinic acid,
Z1827897932,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.108g/mol |
| Monoisotopic Mass | 281.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number