3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

C46H64Br2N8O5Si3 — CID 161234373

About 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 161234373) has the molecular formula C46H64Br2N8O5Si3 and a molecular weight of 1053.13 g/mol. Its IUPAC name is 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

• Compound Name: 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
• PubChem CID: 161234373
• Molecular Formula: C46H64Br2N8O5Si3
• Molecular Weight: 1053.13 g/mol
• Exact Mass: 1050.27
• IUPAC Name: 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
• SMILES: C[Si](C)(C)CCOCN1C(=O)C(Br)(Br)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)Cc2cccnc21.C[Si](C)(C)CCOCn1ccc2cccnc21.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C13H18Br2N2O2Si.C13H20N2O2Si.C13H20N2OSi.C7H6N2/c1-20(2,3)8-7-19-9-17-11-10(5-4-6-16-11)13(14,15)12(17)18;1-18(2,3)8-7-17-10-15-12(16)9-11-5-4-6-14-13(11)15;1-17(2,3)10-9-16-11-15-8-6-12-5-4-7-14-13(12)15;1-2-6-3-5-9-7(6)8-4-1/h4-6H,7-9H2,1-3H3;4-6H,7-10H2,1-3H3;4-8H,9-11H2,1-3H3;1-5H,(H,8,9)
• InChIKey: UZEFSQLLESUZKI-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 140.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1053.13
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?

The IUPAC name of 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (CID 161234373) is 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.

What is the SMILES notation for 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?

The canonical SMILES for 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is C[Si](C)(C)CCOCN1C(=O)C(Br)(Br)c2cccnc21.C[Si](C)(C)CCOCN1C(=O)Cc2cccnc21.C[Si](C)(C)CCOCn1ccc2cccnc21.c1cnc2[nH]ccc2c1.

What is the InChIKey of 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?

The InChIKey is UZEFSQLLESUZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2Si.C13H20N2O2Si.C13H20N2OSi.C7H6N2/c1-20(2,3)8-7-19-9-17-11-10(5-4-6-16-11)13(14,15)12(17)18;1-18(2,3)8-7-17-10-15-12(16)9-11-5-4-6-14-13(11)15;1-17(2,3)10-9-16-11-15-8-6-12-5-4-7-14-13(12)15;1-2-6-3-5-9-7(6)8-4-1/h4-6H,7-9H2,1-3H3;4-6H,7-10H2,1-3H3;4-8H,9-11H2,1-3H3;1-5H,(H,8,9).

What are the key properties of 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?

3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 1053.13 g/mol, XLogP of 10.88, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 161234373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).