| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 11th, 2006 | 11 | Yes |
Popular Name: 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile 1H-Pyrrolo[2,3-b]pyridine-5-carb…
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CAS Numbers: 183208-35-7 , 517918-95-5 , [183208-35-7] , [517918-95-5]
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile (9CI)
5-Bromo-1H-pyrrolo[2,3-b]pyridine
5-canyo-1H-Pyrrolo[2,3-b]pyridine
5-Cyano-1H-pyrrolo[2,3-b]pyridine
| 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) | 1.00 | 4.19 | -7.66 | 1 | 3 | 0 | 52 | 143.149 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 4.43 | -37.14 | 2 | 3 | 1 | 54 | 144.157 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 225.1-225.2° | Matrix Scientific |
| Melting_Point | 226-230? | Alfa-Aesar |
| Melting_Point | 226-230° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.