| CAS Number | 1206597-55-8 |
| Catalog Number | AG0095JV(AGN-PC-0WCLAZ) |
| Chemical Name | 3-Iodo-6-(trifluoromethyl)pyridin-2-ol |
| IUPAC Name | 3-iodo-6-(trifluoromethyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C6H3F3INO/c7-6(8,9)4-2-1-3(10)5(12)11-4/h1-2H,(H,11,12) |
| InChI Key | QVUADYQOARPRMD-UHFFFAOYSA-N |
| MDL Number | MFCD15478062 |
| Molecular Formula | C6H3F3INO |
| Molecular Weight | 288.9938 |
| SMILES | OC1=C(I)C=CC(C(F)(F)F)=N1 |
| Synonyms | 3-iodo-6-(trifluoromethyl)pyridin-2-ol,
1206597-55-8,
3-Iodo-2-hydroxy-6-(trifluoromethyl)pyridine,
2(1H)-Pyridinone, 3-iodo-6-(trifluoromethyl)-,
SCHEMBL1686106,
SCHEMBL14794846,
ZINC47218633,
AKOS025286396,
AM86392,
FCH1389943,
Z2832012383,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.996g/mol |
| Monoisotopic Mass | 288.921g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number