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

C41H60BrIN6Si2 — CID 161420289

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

(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 161420289) has the molecular formula C41H60BrIN6Si2 and a molecular weight of 899.95 g/mol. Its IUPAC name is (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[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;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• PubChem CID: 161420289
• Molecular Formula: C41H60BrIN6Si2
• Molecular Weight: 899.95 g/mol
• Exact Mass: 898.26
• IUPAC Name: (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.Cc1cnc2[nH]cc(I)c2c1.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1
• InChI: InChI=1S/C17H28N2Si.C16H25BrN2Si.C8H7IN2/c1-12(2)20(13(3)4,14(5)6)19-9-8-16-10-15(7)11-18-17(16)19;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-5-2-6-7(9)4-11-8(6)10-3-5/h8-14H,1-7H3;7-13H,1-6H3;2-4H,1H3,(H,10,11)
• InChIKey: VWQGQEPRWICYKR-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 64.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.95
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[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;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 161420289) is (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[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;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[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;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.Cc1cnc2[nH]cc(I)c2c1.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1.

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

The InChIKey is VWQGQEPRWICYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2Si.C16H25BrN2Si.C8H7IN2/c1-12(2)20(13(3)4,14(5)6)19-9-8-16-10-15(7)11-18-17(16)19;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-5-2-6-7(9)4-11-8(6)10-3-5/h8-14H,1-7H3;7-13H,1-6H3;2-4H,1H3,(H,10,11).

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

(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 899.95 g/mol, XLogP of 13.67, 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;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 161420289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).