3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine

C19H13F3N2O2 — CID 126714555

IUPAC3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
SMILESFC(F)(F)c1ccc(Oc2ncccc2-c2cccc3c2OCC3)cn1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)16-7-6-13(11-24-16)26-18-15(5-2-9-23-18)14-4-1-3-12-8-10-25-17(12)14/h1-7,9,11H,8,10H2
InChIKeyFVEKQZYPZABSAG-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.89
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine

3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine (PubChem CID 126714555) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
PubChem CID126714555
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
SMILESFC(F)(F)c1ccc(Oc2ncccc2-c2cccc3c2OCC3)cn1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)16-7-6-13(11-24-16)26-18-15(5-2-9-23-18)14-4-1-3-12-8-10-25-17(12)14/h1-7,9,11H,8,10H2
InChIKeyFVEKQZYPZABSAG-UHFFFAOYSA-N
XLogP4.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine (CID 126714555) is 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine is FC(F)(F)c1ccc(Oc2ncccc2-c2cccc3c2OCC3)cn1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
The InChIKey is FVEKQZYPZABSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)16-7-6-13(11-24-16)26-18-15(5-2-9-23-18)14-4-1-3-12-8-10-25-17(12)14/h1-7,9,11H,8,10H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine has a molecular weight of 358.32 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine is sourced from PubChem (CID 126714555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).