2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine

C19H13F4NO2 — CID 166636269

IUPAC2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2cccc(Oc3ccc(F)c(C(F)F)c3)n2)c1F
InChIInChI=1S/C19H13F4NO2/c1-25-16-6-2-4-12(18(16)21)15-5-3-7-17(24-15)26-11-8-9-14(20)13(10-11)19(22)23/h2-10,19H,1H3
InChIKeyVSHJHKOIVCWGTJ-UHFFFAOYSA-N
MW363.31 g/mol
LogP5.77
Rot. Bonds5

About 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine

2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine (PubChem CID 166636269) has the molecular formula C19H13F4NO2 and a molecular weight of 363.31 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine
PubChem CID166636269
Molecular FormulaC19H13F4NO2
Molecular Weight363.31 g/mol
Exact Mass363.09
IUPAC Name2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2cccc(Oc3ccc(F)c(C(F)F)c3)n2)c1F
InChIInChI=1S/C19H13F4NO2/c1-25-16-6-2-4-12(18(16)21)15-5-3-7-17(24-15)26-11-8-9-14(20)13(10-11)19(22)23/h2-10,19H,1H3
InChIKeyVSHJHKOIVCWGTJ-UHFFFAOYSA-N
XLogP5.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.31
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine?
The IUPAC name of 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine (CID 166636269) is 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine.
What is the SMILES notation for 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine?
The canonical SMILES for 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine is COc1cccc(-c2cccc(Oc3ccc(F)c(C(F)F)c3)n2)c1F.
What is the InChIKey of 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine?
The InChIKey is VSHJHKOIVCWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4NO2/c1-25-16-6-2-4-12(18(16)21)15-5-3-7-17(24-15)26-11-8-9-14(20)13(10-11)19(22)23/h2-10,19H,1H3.
What are the key properties of 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine?
2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine has a molecular weight of 363.31 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine is sourced from PubChem (CID 166636269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).