| CAS Number | 1427082-88-9 |
| Catalog Number | AG01C2C9 |
| Chemical Name | 5-Cyano-4-methylpyridine-2-carboxylic acid |
| IUPAC Name | 5-cyano-4-methylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H6N2O2/c1-5-2-7(8(11)12)10-4-6(5)3-9/h2,4H,1H3,(H,11,12) |
| InChI Key | QGIJIDOYAVPCLN-UHFFFAOYSA-N |
| MDL Number | MFCD24038822 |
| Molecular Formula | C8H6N2O2 |
| Molecular Weight | 162.1454 |
| SMILES | CC1=C(C#N)C=NC(C(O)=O)=C1 |
| Synonyms | 5-cyano-4-methylpyridine-2-carboxylic acid,
1427082-88-9,
5-Cyano-4-methylpicolinic acid,
SCHEMBL15758053,
5-cyano-4-methyl picolinic acid,
QGIJIDOYAVPCLN-UHFFFAOYSA-N,
ZINC95917580,
AKOS023622702,
Z2309759086,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.148g/mol |
| Monoisotopic Mass | 162.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number