| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 10 | Yes |
Popular Name: 2,5-dimethyl-1h-pyrrole-3-carboxylic acid 2,5-dimethyl-1h-pyrrole-3-carbox…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 57338-76-8 , [57338-76-8]
2,5-dimethyl-1h-pyrrole-3-carboxylicacid
2,5-Dimethylpyrrole-3-carboxylic acid
| 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) | 0.80 | 3.11 | -57.36 | 1 | 3 | -1 | 56 | 138.146 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 198 - 200 | Enamine Building Blocks |
| MP | 198...200 | Enamine Building Blocks |
| Melting_Point | 199-201? dec. | Alfa-Aesar |
| Melting_Point | 199-201° dec. | Alfa-Aesar |
| MP | 213° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.