5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane

C20H24Br2N4Si — CID 159258280

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane (PubChem CID 159258280) has the molecular formula C20H24Br2N4Si and a molecular weight of 508.33 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane
• PubChem CID: 159258280
• Molecular Formula: C20H24Br2N4Si
• Molecular Weight: 508.33 g/mol
• Exact Mass: 506.01
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane
• SMILES: Brc1cnc2[nH]ccc2c1.CC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21
• InChI: InChI=1S/C13H19BrN2Si.C7H5BrN2/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;8-6-3-5-1-2-9-7(5)10-4-6/h6-9H,1-5H3;1-4H,(H,9,10)
• InChIKey: KWEJIHXTOKEEEY-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.33
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane (CID 159258280) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane is Brc1cnc2[nH]ccc2c1.CC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane?

The InChIKey is KWEJIHXTOKEEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2Si.C7H5BrN2/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;8-6-3-5-1-2-9-7(5)10-4-6/h6-9H,1-5H3;1-4H,(H,9,10).

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane?

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane has a molecular weight of 508.33 g/mol, XLogP of 6.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 159258280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).