| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2009 | 15 | Yes |
Popular Name: ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate ethyl 4-chloro-7H-pyrrolo[2,3-d]…
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CAS Numbers: 187725-00-4 , [187725-00-4]
1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester
1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid,4-chloro-,ethylester
ethyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
ethyl4-chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate
| 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) | 1.80 | 5.47 | -5.53 | 1 | 5 | 0 | 68 | 225.635 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 5.02 | -33.4 | 0 | 5 | -1 | 66 | 224.627 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0938486A1; US6140332; WO1997002266A1; WO1998007726A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.