| CAS Number | 951030-56-1 |
| Catalog Number | AG019SSH(AGN-PC-0WD5CQ) |
| Chemical Name | 2-chloro-5-methylpyridine-4-carboxylic acid |
| IUPAC Name | 2-chloro-5-methylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C7H6ClNO2/c1-4-3-9-6(8)2-5(4)7(10)11/h2-3H,1H3,(H,10,11) |
| InChI Key | RFDAKGNAGCNTEI-UHFFFAOYSA-N |
| MDL Number | MFCD13188984 |
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.5810 |
| SMILES | O=C(O)C1=C(C)C=NC(Cl)=C1 |
| Synonyms | 2-CHLORO-5-METHYLISONICOTINIC ACID,
951030-56-1,
2-CHLORO-5-METHYLPYRIDINE-4-CARBOXYLIC ACID,
SCHEMBL18068216,
2-Chloro-5-methyl-isonicotinic acid,
ZINC88189840,
AB67501,
4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-5-METHYL-,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.58g/mol |
| Monoisotopic Mass | 171.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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