5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane

C₂₈H₃₄Br₂N₄O₂Si — CID 157475963

About 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane

5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane (PubChem CID 157475963) has the molecular formula C₂₈H₃₄Br₂N₄O₂Si and a molecular weight of 646.50 g/mol. Its IUPAC name is 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane.

Molecular Properties

• Compound Name: 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane
• PubChem CID: 157475963
• Molecular Formula: C₂₈H₃₄Br₂N₄O₂Si
• Molecular Weight: 646.50 g/mol
• Exact Mass: 644.08
• IUPAC Name: 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane
• SMILES: Brc1cnc2[nH]cc(-c3ccoc3)c2c1.C.C.C.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1ccoc1
• InChI: InChI=1S/C14H15BrN2OSi.C11H7BrN2O.3CH4/c1-19(2,3)14-12(9-4-5-18-8-9)11-6-10(15)7-16-13(11)17-14;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8;;;/h4-8H,1-3H3,(H,16,17);1-6H,(H,13,14);3*1H4
• InChIKey: BVPBAWUEWDHEMS-UHFFFAOYSA-N
• XLogP: 9.62
• TPSA: 83.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.50
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane?

The IUPAC name of 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane (CID 157475963) is 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane.

What is the SMILES notation for 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane?

The canonical SMILES for 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane is Brc1cnc2[nH]cc(-c3ccoc3)c2c1.C.C.C.C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1ccoc1.

What is the InChIKey of 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane?

The InChIKey is BVPBAWUEWDHEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OSi.C11H7BrN2O.3CH4/c1-19(2,3)14-12(9-4-5-18-8-9)11-6-10(15)7-16-13(11)17-14;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8;;;/h4-8H,1-3H3,(H,16,17);1-6H,(H,13,14);3*1H4.

What are the key properties of 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane?

5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane has a molecular weight of 646.50 g/mol, XLogP of 9.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane;methane is sourced from PubChem (CID 157475963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157475963 — identifiers, structure, computed properties (public domain)

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