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

C24H11BrCl2F6N2O2 — CID 173353379

IUPAC2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(Oc2ccc(-c3cccc(Br)c3Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1
InChIInChI=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
InChIKeyDWTDKNHNWJPRDF-UHFFFAOYSA-N
MW624.16 g/mol
LogP9.84
Rot. Bonds5

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 Name2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
PubChem CID173353379
Molecular FormulaC24H11BrCl2F6N2O2
Molecular Weight624.16 g/mol
Exact Mass621.93
IUPAC Name2-[2-bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(Oc2ccc(-c3cccc(Br)c3Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1
InChIInChI=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
InChIKeyDWTDKNHNWJPRDF-UHFFFAOYSA-N
XLogP9.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.16
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).