2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine

C23H29BrN4O5 — CID 172537257

About 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine

2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine (PubChem CID 172537257) has the molecular formula C23H29BrN4O5 and a molecular weight of 521.41 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine
• PubChem CID: 172537257
• Molecular Formula: C23H29BrN4O5
• Molecular Weight: 521.41 g/mol
• Exact Mass: 520.13
• IUPAC Name: 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine
• SMILES: [N-]=[N+]=NCCOCCOCCOCCOCCOc1ccc(/C=C/c2ccc(Br)cc2)cn1
• InChI: InChI=1S/C23H29BrN4O5/c24-22-6-3-20(4-7-22)1-2-21-5-8-23(26-19-21)33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-27-28-25/h1-8,19H,9-18H2/b2-1+
• InChIKey: KDXDNBXKINZVKL-OWOJBTEDSA-N
• XLogP: 4.77
• TPSA: 107.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.41
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine?

The IUPAC name of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine (CID 172537257) is 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine.

What is the SMILES notation for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine?

The canonical SMILES for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine is [N-]=[N+]=NCCOCCOCCOCCOCCOc1ccc(/C=C/c2ccc(Br)cc2)cn1.

What is the InChIKey of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine?

The InChIKey is KDXDNBXKINZVKL-OWOJBTEDSA-N. The full InChI is InChI=1S/C23H29BrN4O5/c24-22-6-3-20(4-7-22)1-2-21-5-8-23(26-19-21)33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-27-28-25/h1-8,19H,9-18H2/b2-1+.

What are the key properties of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine?

2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine has a molecular weight of 521.41 g/mol, XLogP of 4.77, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine is sourced from PubChem (CID 172537257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).