2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine

C16H14ClF3N2O2 — CID 58405172

IUPAC2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(COc2ccc(Cl)cc2OC2CNC2)c1
InChIInChI=1S/C16H14ClF3N2O2/c17-11-1-2-14(15(6-11)24-13-7-21-8-13)23-9-12-5-10(3-4-22-12)16(18,19)20/h1-6,13,21H,7-9H2
InChIKeyYICWTTZULKWFSG-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.68
Rot. Bonds5

About 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine

2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine (PubChem CID 58405172) has the molecular formula C16H14ClF3N2O2 and a molecular weight of 358.75 g/mol. Its IUPAC name is 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
PubChem CID58405172
Molecular FormulaC16H14ClF3N2O2
Molecular Weight358.75 g/mol
Exact Mass358.07
IUPAC Name2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(COc2ccc(Cl)cc2OC2CNC2)c1
InChIInChI=1S/C16H14ClF3N2O2/c17-11-1-2-14(15(6-11)24-13-7-21-8-13)23-9-12-5-10(3-4-22-12)16(18,19)20/h1-6,13,21H,7-9H2
InChIKeyYICWTTZULKWFSG-UHFFFAOYSA-N
XLogP3.68
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine (CID 58405172) is 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(COc2ccc(Cl)cc2OC2CNC2)c1.
What is the InChIKey of 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine?
The InChIKey is YICWTTZULKWFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2/c17-11-1-2-14(15(6-11)24-13-7-21-8-13)23-9-12-5-10(3-4-22-12)16(18,19)20/h1-6,13,21H,7-9H2.
What are the key properties of 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine?
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine has a molecular weight of 358.75 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 58405172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).