(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde

C36H45BrN4O2Si — CID 158968995

About (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde (PubChem CID 158968995) has the molecular formula C36H45BrN4O2Si and a molecular weight of 673.77 g/mol. Its IUPAC name is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde.

Molecular Properties

• Compound Name: (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde
• PubChem CID: 158968995
• Molecular Formula: C36H45BrN4O2Si
• Molecular Weight: 673.77 g/mol
• Exact Mass: 672.25
• IUPAC Name: (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde
• SMILES: CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.Cc1ccc(C(O)c2cnc3c(c2)CCN3)cc1.Cc1ccc(C=O)cc1
• InChI: InChI=1S/C15H16N2O.C13H21BrN2Si.C8H8O/c1-10-2-4-11(5-3-10)14(18)13-8-12-6-7-16-15(12)17-9-13;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-7-2-4-8(6-9)5-3-7/h2-5,8-9,14,18H,6-7H2,1H3,(H,16,17);8-9H,6-7H2,1-5H3;2-6H,1H3
• InChIKey: JNOIIHAZFQPJOB-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.77
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde?

The IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde (CID 158968995) is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde.

What is the SMILES notation for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde?

The canonical SMILES for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde is CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.Cc1ccc(C(O)c2cnc3c(c2)CCN3)cc1.Cc1ccc(C=O)cc1.

What is the InChIKey of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde?

The InChIKey is JNOIIHAZFQPJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.C13H21BrN2Si.C8H8O/c1-10-2-4-11(5-3-10)14(18)13-8-12-6-7-16-15(12)17-9-13;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-7-2-4-8(6-9)5-3-7/h2-5,8-9,14,18H,6-7H2,1H3,(H,16,17);8-9H,6-7H2,1-5H3;2-6H,1H3.

What are the key properties of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde?

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde has a molecular weight of 673.77 g/mol, XLogP of 8.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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;2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl-(4-methylphenyl)methanol;4-methylbenzaldehyde is sourced from PubChem (CID 158968995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).