2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine

C24H11BrCl2F6N2O2 — CID 173353379

About 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine

2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 173353379) has the molecular formula C24H11BrCl2F6N2O2 and a molecular weight of 624.16 g/mol. Its IUPAC name is 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
• PubChem CID: 173353379
• Molecular Formula: C24H11BrCl2F6N2O2
• Molecular Weight: 624.16 g/mol
• Exact Mass: 621.93
• IUPAC Name: 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
• SMILES: FC(F)(F)c1cc(Cl)nc(Oc2ccc(-c3cccc(Br)c3Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1
• InChI: InChI=1S/C24H11BrCl2F6N2O2/c25-17-3-1-2-16(21(17)37-22-18(26)8-14(11-34-22)24(31,32)33)12-4-6-15(7-5-12)36-20-10-13(23(28,29)30)9-19(27)35-20/h1-11H
• InChIKey: DWTDKNHNWJPRDF-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.16
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?

The IUPAC name of 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine (CID 173353379) is 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?

The canonical SMILES for 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(Oc2ccc(-c3cccc(Br)c3Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1.

What is the InChIKey of 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?

The InChIKey is DWTDKNHNWJPRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11BrCl2F6N2O2/c25-17-3-1-2-16(21(17)37-22-18(26)8-14(11-34-22)24(31,32)33)12-4-6-15(7-5-12)36-20-10-13(23(28,29)30)9-19(27)35-20/h1-11H.

What are the key properties of 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?

2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 624.16 g/mol, XLogP of 9.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 173353379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).