| CAS Number | 1211590-60-1 |
| Catalog Number | AG01A490(AGN-PC-0WOBC6) |
| Chemical Name | 4-Chloro-5-methylpyridine-3-carboxylic acid |
| IUPAC Name | 4-chloro-5-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6ClNO2/c1-4-2-9-3-5(6(4)8)7(10)11/h2-3H,1H3,(H,10,11) |
| InChI Key | VLTQRNNEGLICJH-UHFFFAOYSA-N |
| MDL Number | MFCD18257429 |
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.581 |
| SMILES | CC1=C(Cl)C(C(O)=O)=CN=C1 |
| Synonyms | 4-chloro-5-methylpyridine-3-carboxylic acid,
1211590-60-1,
4-CHLORO-5-METHYLNICOTINIC ACID,
SCHEMBL3412462,
ZINC88613844,
AKOS026729723,
AB74918,
|
| 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 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number