In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2005 | 9 | Yes |
Popular Name: 4-Azaindole 4-Azaindole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 272-49-1 , N/A , [111613-63-9] , [272-49-1]
1,4-Diazaindene; 1H-Pyrrolo(3,2-b)pyridine; 4-Azaindole; BRN 0109683; LS-139468
1H-Pyrrolo[3,2-b]pyridine 4-oxide
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) | 1.26 | 2.7 | -8.84 | 1 | 2 | 0 | 29 | 118.139 | 0 | ↓ |
Lo Low (pH 4.5-6) | 1.26 | 2.97 | -28.26 | 2 | 2 | 1 | 30 | 119.147 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 125-127? | Alfa-Aesar |
MP | 126 - 127 | Enamine Building Blocks |
MP | 126...127 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Fluorochem |
Purity | 98% | APIChem |
PUBCHEM_PATENT_ID | EP0676398A2; EP0676398A3; EP0728130A1; EP0851863A1; EP0980357A1; EP0981516A1; EP0983244A1; EP0983245A1; EP1022274A1; US5624935; US5739345; US5834501; US5977365; US6117893; WO1995013267A1; WO1997011065A1; WO1998049145A1; WO1998050363A1; WO1998050364A1; WO1 | IBM Patent Data |
PUBCHEM_PATENT_ID | EP0676398A2; EP0676398A3; EP1022274A1; US5624935; US5739345; US5834501; US5977365; US6117893 | IBM Patent Data |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.