| CAS Number | 1227580-74-6 |
| Catalog Number | AG00HGX2(AGN-PC-0WCTBO) |
| Chemical Name | 3-Hydroxy-2-methoxy-5-(trifluoromethyl)pyridine |
| IUPAC Name | 2-methoxy-5-(trifluoromethyl)pyridin-3-ol |
| InChI | InChI=1S/C7H6F3NO2/c1-13-6-5(12)2-4(3-11-6)7(8,9)10/h2-3,12H,1H3 |
| InChI Key | HLJPIVNIIUMYJV-UHFFFAOYSA-N |
| MDL Number | MFCD16611384 |
| Molecular Formula | C7H6F3NO2 |
| Molecular Weight | 193.1232 |
| SMILES | COc1ncc(cc1O)C(F)(F)F |
| Synonyms | 3-hydroxy-2-methoxy-5-(trifluoromethyl)pyridine,
1227580-74-6,
2-Methoxy-5-(trifluoromethyl)pyridin-3-ol,
ZINC95630958,
FCH1174308,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.125g/mol |
| Monoisotopic Mass | 193.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number