6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline

C55H63Br3F2I2N8O2Si2 — CID 159106782

About 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline

6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline (PubChem CID 159106782) has the molecular formula C55H63Br3F2I2N8O2Si2 and a molecular weight of 1455.85 g/mol. Its IUPAC name is 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline.

Molecular Properties

• Compound Name: 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline
• PubChem CID: 159106782
• Molecular Formula: C55H63Br3F2I2N8O2Si2
• Molecular Weight: 1455.85 g/mol
• Exact Mass: 1452.02
• IUPAC Name: 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline
• SMILES: Brc1ccc2cc(I)[nH]c2n1.C#Cc1ccc(N(C)CCF)cc1.CN(CCF)c1ccc(C#Cc2cc3ccc(Br)nc3n2COCC[Si](C)(C)C)cc1.C[Si](C)(C)CCOCn1c(I)cc2ccc(Br)nc21
• InChI: InChI=1S/C24H29BrFN3OSi.C13H18BrIN2OSi.C11H12FN.C7H4BrIN2/c1-28(14-13-26)21-9-5-19(6-10-21)7-11-22-17-20-8-12-23(25)27-24(20)29(22)18-30-15-16-31(2,3)4;1-19(2,3)7-6-18-9-17-12(15)8-10-4-5-11(14)16-13(10)17;1-3-10-4-6-11(7-5-10)13(2)9-8-12;8-5-2-1-4-3-6(9)11-7(4)10-5/h5-6,8-10,12,17H,13-16,18H2,1-4H3;4-5,8H,6-7,9H2,1-3H3;1,4-7H,8-9H2,2H3;1-3H,(H,10,11)
• InChIKey: KDZGMTFVKDNYIX-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 89.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1455.85
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline?

The IUPAC name of 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline (CID 159106782) is 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline.

What is the SMILES notation for 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline?

The canonical SMILES for 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline is Brc1ccc2cc(I)[nH]c2n1.C#Cc1ccc(N(C)CCF)cc1.CN(CCF)c1ccc(C#Cc2cc3ccc(Br)nc3n2COCC[Si](C)(C)C)cc1.C[Si](C)(C)CCOCn1c(I)cc2ccc(Br)nc21.

What is the InChIKey of 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline?

The InChIKey is KDZGMTFVKDNYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrFN3OSi.C13H18BrIN2OSi.C11H12FN.C7H4BrIN2/c1-28(14-13-26)21-9-5-19(6-10-21)7-11-22-17-20-8-12-23(25)27-24(20)29(22)18-30-15-16-31(2,3)4;1-19(2,3)7-6-18-9-17-12(15)8-10-4-5-11(14)16-13(10)17;1-3-10-4-6-11(7-5-10)13(2)9-8-12;8-5-2-1-4-3-6(9)11-7(4)10-5/h5-6,8-10,12,17H,13-16,18H2,1-4H3;4-5,8H,6-7,9H2,1-3H3;1,4-7H,8-9H2,2H3;1-3H,(H,10,11).

What are the key properties of 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline?

6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline has a molecular weight of 1455.85 g/mol, XLogP of 15.64, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-[(6-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;4-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N-(2-fluoroethyl)-N-methylaniline;4-ethynyl-N-(2-fluoroethyl)-N-methylaniline is sourced from PubChem (CID 159106782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).