| CAS Number | 1027818-89-8 |
| Catalog Number | AG008WI7(AGN-PC-0WR0MK) |
| Chemical Name | 5-Iodo-2-(trifluoromethyl)pyridin-4-ol, 4-Hydroxy-5-iodo-alpha,alpha,alpha-trifluoro-2-picoline |
| IUPAC Name | 5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one |
| InChI | InChI=1S/C6H3F3INO/c7-6(8,9)5-1-4(12)3(10)2-11-5/h1-2H,(H,11,12) |
| InChI Key | CGLFJGAJEPFGDZ-UHFFFAOYSA-N |
| MDL Number | MFCD24369747 |
| Molecular Formula | C6H3F3INO |
| Molecular Weight | 288.9938 |
| SMILES | OC1=CC(=NC=C1I)C(F)(F)F |
| Synonyms | 1027818-89-8,
2-(Trifluoromethyl)-5-iodopyridin-4-ol,
4-Hydroxy-5-iodo-2-(trifluoromethyl)pyridine,
5-iodo-2-(trifluoromethyl)pyridin-4-ol,
SCHEMBL3708073,
CGLFJGAJEPFGDZ-UHFFFAOYSA-N,
ZX-AP001564,
MFCD24369747,
ZINC94986230,
FCH2337267,
PC51214,
5-iodo-2-(trifluoromethyl)-4-pyridinol,
PS-11618,
4-Pyridinol, 5-iodo-2-(trifluoromethyl)-,
C-0214,
AS-813/43501868,
5-iodo-2-(trifluoromethyl)-pyridin-4-ol,
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| 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 | 5 |
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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