| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 18 | No |
Popular Name: 4-[3-(trifluoromethyl)-2-pyridinyl]benzenecarbaldehyde 4-[3-(trifluoromethyl)-2-pyridin…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 847446-85-9 , N/A , [847446-85-9]
4-(3-(Trifluoromethyl)pyridin-2-yl)benzaldehyde
| 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) | 3.23 | 6.65 | -10.28 | 0 | 2 | 0 | 30 | 251.207 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 6.93 | -43.69 | 1 | 2 | 1 | 31 | 252.215 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 6.700000000000000e+001 - 6.800000000000000e+001 | KeyOrganics |
| melting_point | 67 - 68 | KeyOrganics |
| MP | 67-68° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
