| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 14 | Yes |
Popular Name: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-iodopyridine 2-(2,5-dimethyl-1H-pyrrol-1-yl)-…
Find On: PubMed — Wikipedia — Google
CAS Number: 477889-91-1
| 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) | 3.41 | 0.84 | -5.02 | 0 | 2 | 0 | 17 | 298.127 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 1.01 | -29.51 | 1 | 2 | 1 | 19 | 299.135 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 117 - 119 | KeyOrganics |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
