| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 21 | Yes |
Popular Name: 2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid 2-oxo-1-[3-(trifluoromethyl)benz…
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CAS Numbers: 338754-66-8 , [338754-66-8]
1-[3-(Trifluoromethyl)benzyl]pyridin-2-one-3-carboxylic acid 97%
2-Oxo-1-(3-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carboxylic acid
2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylicacid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.31 | 3.84 | -71.11 | 0 | 4 | -1 | 62 | 296.224 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 159 - 161 | KeyOrganics |
| MP | 159-161° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.