2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine

C20H17F3N2O2 — CID 155545788

IUPAC2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc(OCCCc3ccccn3)nc2)cc1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)27-18-9-6-15(7-10-18)16-8-11-19(25-14-16)26-13-3-5-17-4-1-2-12-24-17/h1-2,4,6-12,14H,3,5,13H2
InChIKeyUJPWWLCLWOBADD-UHFFFAOYSA-N
MW374.36 g/mol
LogP5.05
Rot. Bonds7

About 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine

2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 155545788) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID155545788
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc(OCCCc3ccccn3)nc2)cc1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)27-18-9-6-15(7-10-18)16-8-11-19(25-14-16)26-13-3-5-17-4-1-2-12-24-17/h1-2,4,6-12,14H,3,5,13H2
InChIKeyUJPWWLCLWOBADD-UHFFFAOYSA-N
XLogP5.05
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine (CID 155545788) is 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1ccc(-c2ccc(OCCCc3ccccn3)nc2)cc1.
What is the InChIKey of 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is UJPWWLCLWOBADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)27-18-9-6-15(7-10-18)16-8-11-19(25-14-16)26-13-3-5-17-4-1-2-12-24-17/h1-2,4,6-12,14H,3,5,13H2.
What are the key properties of 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine?
2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 374.36 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 155545788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).