| CAS Number | 1200498-46-9 |
| Catalog Number | AG0095EX(AGN-PC-0WNNJF) |
| Chemical Name | 5-Cyano-3-fluoropicolinic acid |
| IUPAC Name | 5-cyano-3-fluoropyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H3FN2O2/c8-5-1-4(2-9)3-10-6(5)7(11)12/h1,3H,(H,11,12) |
| InChI Key | XFSFTCXJXGULGN-UHFFFAOYSA-N |
| MDL Number | MFCD20227459 |
| Molecular Formula | C7H3FN2O2 |
| Molecular Weight | 166.1093 |
| SMILES | C1=C(C#N)C=NC(=C1F)C(=O)O |
| Synonyms | 5-Cyano-3-fluoropicolinic acid,
1200498-46-9,
5-cyano-3-fluoropyridine-2-carboxylic acid,
2-Pyridinecarboxylic acid, 5-cyano-3-fluoro-,
SCHEMBL12358354,
XFSFTCXJXGULGN-UHFFFAOYSA-N,
MFCD20227459,
ZINC147025052,
SC-95190,
5-Cyano-3-fluoro-pyridine-2-carboxylic acid,
5-CYANO-3-FLUOROPYRIDINE-2-CARBOXYLICACID,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.111g/mol |
| Monoisotopic Mass | 166.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number