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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Related Compounds

Pilavapadin
CID 118419773
(5s)-3-(5,6-Dihydro-2h-Pyran-3-Yl)-1-Fluoro-7-(2-Fluoropyridin-3-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 53465141
(5s)-7-(2-Fluoropyridin-3-Yl)-3-(2-Fluoropyridin-4-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 58466119
example 385 [US8883782]
CID 67436561
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 45254127
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464571
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(oxan-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464882
Spiro[5H-[1]benzopyrano[2,3-c]pyridine-5,4'(5'H)-oxazol]-2'-amine, 3-(3,6-dihydro-2H-pyran-4-yl)-1-fluoro-7-(2-fluoro-3-pyridinyl)-, (4'S)-
CID 53464944
(4S)-3'-(3,6-dihydro-2H-pyran-5-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53465067
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466122

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).