(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine

C50H79BrN8OSi3 — CID 159116767

About (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159116767) has the molecular formula C50H79BrN8OSi3 and a molecular weight of 972.40 g/mol. Its IUPAC name is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159116767
• Molecular Formula: C50H79BrN8OSi3
• Molecular Weight: 972.40 g/mol
• Exact Mass: 970.49
• IUPAC Name: (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.CO.Cc1cnc2[nH]ccc2c1.Cc1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C.Cc1cnc2c(ccn2[Si](C)(C)C(C)(C)C)c1
• InChI: InChI=1S/C14H24N2Si.C14H22N2Si.C13H21BrN2Si.C8H8N2.CH4O/c2*1-11-9-12-7-8-16(13(12)15-10-11)17(5,6)14(2,3)4;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-6-4-7-2-3-9-8(7)10-5-6;1-2/h9-10H,7-8H2,1-6H3;7-10H,1-6H3;8-9H,6-7H2,1-5H3;2-5H,1H3,(H,9,10);2H,1H3
• InChIKey: KFEMEPDQJLOVQV-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 98.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.40
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine (CID 159116767) is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine.

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

The canonical SMILES for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.CO.Cc1cnc2[nH]ccc2c1.Cc1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C.Cc1cnc2c(ccn2[Si](C)(C)C(C)(C)C)c1.

What is the InChIKey of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is KFEMEPDQJLOVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2Si.C14H22N2Si.C13H21BrN2Si.C8H8N2.CH4O/c2*1-11-9-12-7-8-16(13(12)15-10-11)17(5,6)14(2,3)4;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-6-4-7-2-3-9-8(7)10-5-6;1-2/h9-10H,7-8H2,1-6H3;7-10H,1-6H3;8-9H,6-7H2,1-5H3;2-5H,1H3,(H,9,10);2H,1H3.

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

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 972.40 g/mol, XLogP of 13.65, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane;tert-butyl-dimethyl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)silane;methanol;5-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159116767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).