| Catalog Number | ACM394729987 |
| CAS | 394729-98-7 |
| IUPAC Name | 2-chloro-4-methoxypyridine-3-carboxylic acid |
| Synonyms | 2-Chloro-4-methoxynicotinic acid;394729-98-7;2-chloro-4-methoxy-3-pyridinecarboxylic acid;2-chloro-4-methoxypyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 2-chloro-4-methoxy-;MFCD18378504;SCHEMBL4969142;AMY7996;ZINC98086085;AKOS023832982;AK158984;SY038107;TS-02640;CS-0096904 |
| Molecular Weight | 187.58g/mol |
| Molecular Formula | C7H6ClNO3 |
| Canonical SMILES | COC1=C(C(=NC=C1)Cl)C(=O)O |
| InChI | InChI=1S/C7H6ClNO3/c1-12-4-2-3-9-6(8)5(4)7(10)11/h2-3H,1H3,(H,10,11) |
| InChI Key | ZBHVWHBZHRBHRQ-UHFFFAOYSA-N |
| Complexity | 176 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 187.0036207g/mol |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Monoisotopic Mass | 187.0036207g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4Ų |
| X Log P3 | 1.3 |