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

C39H55BrCl2N6Si2 — CID 157286808

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

(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 157286808) has the molecular formula C39H55BrCl2N6Si2 and a molecular weight of 814.89 g/mol. Its IUPAC name is (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• PubChem CID: 157286808
• Molecular Formula: C39H55BrCl2N6Si2
• Molecular Weight: 814.89 g/mol
• Exact Mass: 812.26
• IUPAC Name: (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cl)cnc21.Clc1cnc2[nH]ccc2c1
• InChI: InChI=1S/C16H25BrN2Si.C16H25ClN2Si.C7H5ClN2/c2*1-11(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/h2*7-13H,1-6H3;1-4H,(H,9,10)
• InChIKey: BAIDOZDFUAHPHW-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 64.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.89
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The IUPAC name of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 157286808) is (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

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

The canonical SMILES for (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cl)cnc21.Clc1cnc2[nH]ccc2c1.

What is the InChIKey of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The InChIKey is BAIDOZDFUAHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2Si.C16H25ClN2Si.C7H5ClN2/c2*1-11(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/h2*7-13H,1-6H3;1-4H,(H,9,10).

What are the key properties of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 814.89 g/mol, XLogP of 13.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 157286808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).