4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline

C53H61Br3I2N8Si2 — CID 159712100

About 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline

4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline (PubChem CID 159712100) has the molecular formula C53H61Br3I2N8Si2 and a molecular weight of 1359.82 g/mol. Its IUPAC name is 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline
• PubChem CID: 159712100
• Molecular Formula: C53H61Br3I2N8Si2
• Molecular Weight: 1359.82 g/mol
• Exact Mass: 1356.02
• IUPAC Name: 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline
• SMILES: Brc1ccnc2[nH]c(I)cc12.C#Cc1ccc(N(C)C)cc1.CC(C)(C)[Si](C)(C)n1c(I)cc2c(Br)ccnc21.CN(C)c1ccc(C#Cc2cc3c(Br)ccnc3n2[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C23H28BrN3Si.C13H18BrIN2Si.C10H11N.C7H4BrIN2/c1-23(2,3)28(6,7)27-19(16-20-21(24)14-15-25-22(20)27)13-10-17-8-11-18(12-9-17)26(4)5;1-13(2,3)18(4,5)17-11(15)8-9-10(14)6-7-16-12(9)17;1-4-9-5-7-10(8-6-9)11(2)3;8-5-1-2-10-7-4(5)3-6(9)11-7/h8-9,11-12,14-16H,1-7H3;6-8H,1-5H3;1,5-8H,2-3H3;1-3H,(H,10,11)
• InChIKey: MYYVJDPZRLYMLK-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 70.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1359.82
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline?

The IUPAC name of 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline (CID 159712100) is 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline.

What is the SMILES notation for 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline?

The canonical SMILES for 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline is Brc1ccnc2[nH]c(I)cc12.C#Cc1ccc(N(C)C)cc1.CC(C)(C)[Si](C)(C)n1c(I)cc2c(Br)ccnc21.CN(C)c1ccc(C#Cc2cc3c(Br)ccnc3n2[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline?

The InChIKey is MYYVJDPZRLYMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3Si.C13H18BrIN2Si.C10H11N.C7H4BrIN2/c1-23(2,3)28(6,7)27-19(16-20-21(24)14-15-25-22(20)27)13-10-17-8-11-18(12-9-17)26(4)5;1-13(2,3)18(4,5)17-11(15)8-9-10(14)6-7-16-12(9)17;1-4-9-5-7-10(8-6-9)11(2)3;8-5-1-2-10-7-4(5)3-6(9)11-7/h8-9,11-12,14-16H,1-7H3;6-8H,1-5H3;1,5-8H,2-3H3;1-3H,(H,10,11).

What are the key properties of 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline?

4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline has a molecular weight of 1359.82 g/mol, XLogP of 16.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(4-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline is sourced from PubChem (CID 159712100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).