| CAS Number | 855916-58-4 |
| Catalog Number | AG019MAN(AGN-PC-04YL1I) |
| Chemical Name | 5-Cyano-6-methylpicolinic acid |
| IUPAC Name | 5-cyano-6-methylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H6N2O2/c1-5-6(4-9)2-3-7(10-5)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | VOHKZRJTZQWLDH-UHFFFAOYSA-N |
| MDL Number | MFCD10686719 |
| Molecular Formula | C8H6N2O2 |
| Molecular Weight | 162.1454 |
| SMILES | CC1=C(C#N)C=CC(C(O)=O)=N1 |
| Synonyms | 5-cyano-6-methylpyridine-2-carboxylic acid,
855916-58-4,
5-cyano-6-methylpicolinic acid,
2-Pyridinecarboxylic acid, 5-cyano-6-methyl-,
AC1Q2EKB,
SCHEMBL12870164,
CTK7C8254,
VOHKZRJTZQWLDH-UHFFFAOYSA-N,
MFCD10686719,
ZINC12480766,
AKOS009232735,
MCULE-7345683670,
NCGC00324763-01,
BS-13662,
EN300-35606,
AB01320029-02,
Z367452148,
2-Pyridinecarboxylic acid, 5-cyano-6-methyl,
|
| 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