5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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

C60H74Br2N8Si2 — CID 158742188

About 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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

5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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 158742188) has the molecular formula C60H74Br2N8Si2 and a molecular weight of 1123.29 g/mol. Its IUPAC name is 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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.

Molecular Properties

• Compound Name: 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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: 158742188
• Molecular Formula: C60H74Br2N8Si2
• Molecular Weight: 1123.29 g/mol
• Exact Mass: 1120.39
• IUPAC Name: 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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
• SMILES: Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cc3ccccc3)cnc21.c1ccc(Cc2cnc3[nH]ccc3c2)cc1
• InChI: InChI=1S/C23H32N2Si.C16H25BrN2Si.C14H12N2.C7H5BrN2/c1-17(2)26(18(3)4,19(5)6)25-13-12-22-15-21(16-24-23(22)25)14-20-10-8-7-9-11-20;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-4-11(5-3-1)8-12-9-13-6-7-15-14(13)16-10-12;8-6-3-5-1-2-9-7(5)10-4-6/h7-13,15-19H,14H2,1-6H3;7-13H,1-6H3;1-7,9-10H,8H2,(H,15,16);1-4H,(H,9,10)
• InChIKey: IMKXVEHKTJRSHG-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 93.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.29
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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?

The IUPAC name of 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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 (CID 158742188) is 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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.

What is the SMILES notation for 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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?

The canonical SMILES for 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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 is Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cc3ccccc3)cnc21.c1ccc(Cc2cnc3[nH]ccc3c2)cc1.

What is the InChIKey of 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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?

The InChIKey is IMKXVEHKTJRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2Si.C16H25BrN2Si.C14H12N2.C7H5BrN2/c1-17(2)26(18(3)4,19(5)6)25-13-12-22-15-21(16-24-23(22)25)14-20-10-8-7-9-11-20;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-4-11(5-3-1)8-12-9-13-6-7-15-14(13)16-10-12;8-6-3-5-1-2-9-7(5)10-4-6/h7-13,15-19H,14H2,1-6H3;7-13H,1-6H3;1-7,9-10H,8H2,(H,15,16);1-4H,(H,9,10).

What are the key properties of 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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?

5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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 1123.29 g/mol, XLogP of 17.95, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-1H-pyrrolo[2,3-b]pyridine;(5-benzylpyrrolo[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 is sourced from PubChem (CID 158742188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).