| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2008 | 16 | Yes |
Popular Name: 5-iodo-2-oxo-6-(2-pyridinyl)-1,2-dihydro-3-pyridinecarbonitrile 5-iodo-2-oxo-6-(2-pyridinyl)-1,2…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1092352-61-8 , N/A
3-Iodo-6-oxo-1,6-dihydro-[2,2'-bipyridine]-5-carbonitrile
| 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) | 1.83 | 5.56 | -13.4 | 1 | 4 | 0 | 70 | 323.093 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 4.67 | -39.26 | 0 | 4 | -1 | 73 | 322.085 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 218 - 220 | KeyOrganics |
| MP | 218-220° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
