3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine

C17H16ClF3N2O2 — CID 46215832

IUPAC3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine
SMILESCc1nc(C(F)(F)F)ccc1COc1ccc(Cl)cc1OC1CNC1
InChIInChI=1S/C17H16ClF3N2O2/c1-10-11(2-5-16(23-10)17(19,20)21)9-24-14-4-3-12(18)6-15(14)25-13-7-22-8-13/h2-6,13,22H,7-9H2,1H3
InChIKeyAZAGWVUQIJOBDO-UHFFFAOYSA-N
MW372.77 g/mol
LogP3.99
Rot. Bonds5

About 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine

3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine (PubChem CID 46215832) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine
PubChem CID46215832
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine
SMILESCc1nc(C(F)(F)F)ccc1COc1ccc(Cl)cc1OC1CNC1
InChIInChI=1S/C17H16ClF3N2O2/c1-10-11(2-5-16(23-10)17(19,20)21)9-24-14-4-3-12(18)6-15(14)25-13-7-22-8-13/h2-6,13,22H,7-9H2,1H3
InChIKeyAZAGWVUQIJOBDO-UHFFFAOYSA-N
XLogP3.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine (CID 46215832) is 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine is Cc1nc(C(F)(F)F)ccc1COc1ccc(Cl)cc1OC1CNC1.
What is the InChIKey of 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine?
The InChIKey is AZAGWVUQIJOBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-10-11(2-5-16(23-10)17(19,20)21)9-24-14-4-3-12(18)6-15(14)25-13-7-22-8-13/h2-6,13,22H,7-9H2,1H3.
What are the key properties of 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine?
3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 372.77 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 46215832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).