In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2007 | 10 | Yes |
Popular Name: 4-Bromo-1H-pyrrolo[2,3-b]pyridine 4-Bromo-1H-pyrrolo[2,3-b]pyridine
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CAS Numbers: 348640-06-2 , [348640-06-2]
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-
4-bromo-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) | 2.00 | 4.39 | -6.49 | 1 | 2 | 0 | 29 | 197.035 | 0 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 4.63 | -32.31 | 2 | 2 | 1 | 30 | 198.043 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 176 - 177 | KeyOrganics |
MP | 178-183° | Matrix Scientific |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Matrix Scientific |
Purity | 97% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |
Warnings | Toxic/Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.