5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine

C17H17F3N2O2 — CID 177185793

IUPAC5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1cc(Oc2ccc(C(F)(F)F)nc2)cc(N2CCCC2)c1
InChIInChI=1S/C17H17F3N2O2/c1-23-14-8-12(22-6-2-3-7-22)9-15(10-14)24-13-4-5-16(21-11-13)17(18,19)20/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyJGYRYXSAOZCMTQ-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.50
Rot. Bonds4

About 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine

5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine (PubChem CID 177185793) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine
PubChem CID177185793
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1cc(Oc2ccc(C(F)(F)F)nc2)cc(N2CCCC2)c1
InChIInChI=1S/C17H17F3N2O2/c1-23-14-8-12(22-6-2-3-7-22)9-15(10-14)24-13-4-5-16(21-11-13)17(18,19)20/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyJGYRYXSAOZCMTQ-UHFFFAOYSA-N
XLogP4.50
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine (CID 177185793) is 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine is COc1cc(Oc2ccc(C(F)(F)F)nc2)cc(N2CCCC2)c1.
What is the InChIKey of 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is JGYRYXSAOZCMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-23-14-8-12(22-6-2-3-7-22)9-15(10-14)24-13-4-5-16(21-11-13)17(18,19)20/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine?
5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 338.33 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 177185793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).