| CAS Number | 56836-19-2 |
| Catalog Number | AG00VUIU(AGN-PC-0WBKQ4) |
| Chemical Name | 2-Chloro-6-(dimethylamino)isonicotinic acid |
| IUPAC Name | 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H9ClN2O2/c1-11(2)7-4-5(8(12)13)3-6(9)10-7/h3-4H,1-2H3,(H,12,13) |
| InChI Key | FZGKYBLWJTYHTF-UHFFFAOYSA-N |
| MDL Number | MFCD11214889 |
| Molecular Formula | C8H9ClN2O2 |
| Molecular Weight | 200.6223 |
| SMILES | CN(C1=NC(Cl)=CC(C(O)=O)=C1)C |
| Synonyms | 2-Chloro-6-(dimethylamino)isonicotinic acid,
56836-19-2,
2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid,
SCHEMBL898570,
FZGKYBLWJTYHTF-UHFFFAOYSA-N,
ZINC36960248,
AKOS009351073,
MCULE-8724447365,
NE41732,
AJ-93569,
EN300-74977,
Z1270403522,
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| Complexity | 199 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.622g/mol |
| Monoisotopic Mass | 200.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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