2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine

C17H12Cl7NO3 — CID 141278423

About 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine

2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine (PubChem CID 141278423) has the molecular formula C17H12Cl7NO3 and a molecular weight of 526.46 g/mol. Its IUPAC name is 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine.

Molecular Properties

• Compound Name: 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine
• PubChem CID: 141278423
• Molecular Formula: C17H12Cl7NO3
• Molecular Weight: 526.46 g/mol
• Exact Mass: 522.86
• IUPAC Name: 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine
• SMILES: ClC(Cl)=CCOc1cc(Cl)c(OCCCOc2nc(Cl)c(Cl)cc2Cl)c(Cl)c1
• InChI: InChI=1S/C17H12Cl7NO3/c18-10-6-9(26-5-2-14(22)23)7-11(19)15(10)27-3-1-4-28-17-13(21)8-12(20)16(24)25-17/h2,6-8H,1,3-5H2
• InChIKey: HIQUPPQFTVKAAT-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 40.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.46
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine?

The IUPAC name of 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine (CID 141278423) is 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine.

What is the SMILES notation for 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine?

The canonical SMILES for 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine is ClC(Cl)=CCOc1cc(Cl)c(OCCCOc2nc(Cl)c(Cl)cc2Cl)c(Cl)c1.

What is the InChIKey of 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine?

The InChIKey is HIQUPPQFTVKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl7NO3/c18-10-6-9(26-5-2-14(22)23)7-11(19)15(10)27-3-1-4-28-17-13(21)8-12(20)16(24)25-17/h2,6-8H,1,3-5H2.

What are the key properties of 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine?

2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine has a molecular weight of 526.46 g/mol, XLogP of 7.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine is sourced from PubChem (CID 141278423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).