| CAS Number | 1019461-54-1 |
| Catalog Number | AG01BI4K |
| Chemical Name | 5-Chloro-6-(ethylamino)pyridine-3-carboxylic acid |
| IUPAC Name | 5-chloro-6-(ethylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H9ClN2O2/c1-2-10-7-6(9)3-5(4-11-7)8(12)13/h3-4H,2H2,1H3,(H,10,11)(H,12,13) |
| InChI Key | AQUHMSXUKOCEPD-UHFFFAOYSA-N |
| MDL Number | MFCD11132028 |
| Molecular Formula | C8H9ClN2O2 |
| Molecular Weight | 200.6223 |
| SMILES | CCNC1=C(Cl)C=C(C(O)=O)C=N1 |
| Synonyms | 5-chloro-6-(ethylamino)pyridine-3-carboxylic acid,
1019461-54-1,
ZINC19844634,
AKOS000214310,
Z2444591263,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.622g/mol |
| Monoisotopic Mass | 200.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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