| CAS Number | 890092-41-8 |
| Catalog Number | AG01AFB4(AGN-PC-0WCNE3) |
| Chemical Name | 5-chloro-4-methylpyridine-3-carboxylic acid |
| IUPAC Name | 5-chloro-4-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6ClNO2/c1-4-5(7(10)11)2-9-3-6(4)8/h2-3H,1H3,(H,10,11) |
| InChI Key | DNYPAJVKUAHQHN-UHFFFAOYSA-N |
| MDL Number | MFCD07439972 |
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.5810 |
| SMILES | ClC=1C=NC=C(C(=O)O)C1C |
| Synonyms | 5-Chloro-4-methylnicotinic acid,
890092-41-8,
5-chloro-4-methylpyridine-3-carboxylic acid,
AC1OEP7M,
ZINC3881107,
AKOS002666148,
AB41997,
MCULE-9756039577,
5-chloro-4-methylnicotinic acid, AldrichCPR,
L-5383,
F1957-0021,
Z2510258158,
CID7060673,
5-chloro-4-methyl-pyridine-3-carboxylic Acid,
|
| 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