| CAS Number | 959577-31-2 |
| Catalog Number | AG00IJLU(AGN-PC-0WRA9V) |
| Chemical Name | 2-Chloro-6-(dimethylamino)pyridine-3-carboxylic acid |
| IUPAC Name | 2-chloro-6-(dimethylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H9ClN2O2/c1-11(2)6-4-3-5(8(12)13)7(9)10-6/h3-4H,1-2H3,(H,12,13) |
| InChI Key | KCELKMBUYRXARZ-UHFFFAOYSA-N |
| MDL Number | MFCD01861973 |
| Molecular Formula | C8H9ClN2O2 |
| Molecular Weight | 200.6223 |
| SMILES | ClC1(=NC(N(C)C)=CC=C1C(=O)O) |
| Synonyms | 2-chloro-6-(dimethylamino)pyridine-3-carboxylic acid,
959577-31-2,
2-Chloro-6-(dimethylamino)nicotinic acid,
3-Carboxy-2-chloro-6-(dimethylamino)pyridine,
MFCD01861973,
AC1MC3ZA,
CTK6H9573,
KS-00003QOA,
ZINC2386397,
ZX-AT001401,
KM3394,
OR0065,
AKOS026675457,
FCH1321383,
PS-3019,
ZINC02386397,
CID2735729,
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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
Lot Number