2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine

C20H15BrF3NO2 — CID 142577557

IUPAC2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(COc2cc(Br)nc(-c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C20H15BrF3NO2/c1-26-16-8-2-13(3-9-16)12-27-17-10-18(25-19(21)11-17)14-4-6-15(7-5-14)20(22,23)24/h2-11H,12H2,1H3
InChIKeyXVXZQVOZFLMBJR-UHFFFAOYSA-N
MW438.24 g/mol
LogP6.12
Rot. Bonds5

About 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine

2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 142577557) has the molecular formula C20H15BrF3NO2 and a molecular weight of 438.24 g/mol. Its IUPAC name is 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID142577557
Molecular FormulaC20H15BrF3NO2
Molecular Weight438.24 g/mol
Exact Mass437.02
IUPAC Name2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(COc2cc(Br)nc(-c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C20H15BrF3NO2/c1-26-16-8-2-13(3-9-16)12-27-17-10-18(25-19(21)11-17)14-4-6-15(7-5-14)20(22,23)24/h2-11H,12H2,1H3
InChIKeyXVXZQVOZFLMBJR-UHFFFAOYSA-N
XLogP6.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.24
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine (CID 142577557) is 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine is COc1ccc(COc2cc(Br)nc(-c3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is XVXZQVOZFLMBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF3NO2/c1-26-16-8-2-13(3-9-16)12-27-17-10-18(25-19(21)11-17)14-4-6-15(7-5-14)20(22,23)24/h2-11H,12H2,1H3.
What are the key properties of 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine?
2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 438.24 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-methoxyphenyl)methoxy]-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 142577557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).