| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 19 | Yes |
Popular Name: 1-(tert-butyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile 1-(tert-butyl)-4-(trifluoromethy…
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CAS Numbers: 1146221-86-4 , [1146221-86-4]
1-(tert-Butyl)-4-(trifluoromethyl)-1H-pyrrolo-[2,3-b]pyridine-3-carbonitrile
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-dimethylethyl)-4-(trifluoromethyl)-
| 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) | 3.02 | 8.42 | -10.64 | 0 | 3 | 0 | 42 | 267.254 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 173 - 176 | KeyOrganics |
| MP | 173-176° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.