5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C23H30Br2N4Si — CID 158338326

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 158338326) has the molecular formula C23H30Br2N4Si and a molecular weight of 550.42 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• PubChem CID: 158338326
• Molecular Formula: C23H30Br2N4Si
• Molecular Weight: 550.42 g/mol
• Exact Mass: 548.06
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• SMILES: Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21
• InChI: InChI=1S/C16H25BrN2Si.C7H5BrN2/c1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;8-6-3-5-1-2-9-7(5)10-4-6/h7-13H,1-6H3;1-4H,(H,9,10)
• InChIKey: GQVZLJDZKYGFAR-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.42
LogP ≤ 5	8.15
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)-tri(propan-2-yl)silane?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 158338326) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

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

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(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)-tri(propan-2-yl)silane?

The InChIKey is GQVZLJDZKYGFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2Si.C7H5BrN2/c1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;8-6-3-5-1-2-9-7(5)10-4-6/h7-13H,1-6H3;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)-tri(propan-2-yl)silane?

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 550.42 g/mol, XLogP of 8.15, 4 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)-tri(propan-2-yl)silane is sourced from PubChem (CID 158338326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).