C55H69Cl4IN8O3Si3 — CID 161069919
2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 161069919) has the molecular formula C55H69Cl4IN8O3Si3 and a molecular weight of 1243.18 g/mol. Its IUPAC name is 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
| Compound Name | 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane |
|---|---|
| PubChem CID | 161069919 |
| Molecular Formula | C55H69Cl4IN8O3Si3 |
| Molecular Weight | 1243.18 g/mol |
| Exact Mass | 1240.26 |
| IUPAC Name | 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane |
| SMILES | C[Si](C)(C)CCOCn1c(-c2ccccc2C2CC2)cc2ccc(Cl)nc21.C[Si](C)(C)CCOCn1c(I)cc2ccc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2ccc(Cl)nc21.Clc1ccc2cc[nH]c2n1 |
| InChI | InChI=1S/C22H27ClN2OSi.C13H18ClIN2OSi.C13H19ClN2OSi.C7H5ClN2/c1-27(2,3)13-12-26-15-25-20(14-17-10-11-21(23)24-22(17)25)19-7-5-4-6-18(19)16-8-9-16;1-19(2,3)7-6-18-9-17-12(15)8-10-4-5-11(14)16-13(10)17;1-18(2,3)9-8-17-10-16-7-6-11-4-5-12(14)15-13(11)16;8-6-2-1-5-3-4-9-7(5)10-6/h4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;4-7H,8-10H2,1-3H3;1-4H,(H,9,10) |
| InChIKey | UENFQZCRLAXFHI-UHFFFAOYSA-N |
| XLogP | 17.37 |
| TPSA | 109.83 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 74 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1243.18 |
| LogP ≤ 5 | 17.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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