2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine

C20H16F4N2O — CID 67011083

IUPAC2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine
SMILESFc1ccc(-c2ncccc2C(Cc2cccnc2)OCC(F)(F)F)cc1
InChIInChI=1S/C20H16F4N2O/c21-16-7-5-15(6-8-16)19-17(4-2-10-26-19)18(27-13-20(22,23)24)11-14-3-1-9-25-12-14/h1-10,12,18H,11,13H2
InChIKeyVLPSWISXLPFLCF-UHFFFAOYSA-N
MW376.35 g/mol
LogP5.15
Rot. Bonds6

About 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine

2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine (PubChem CID 67011083) has the molecular formula C20H16F4N2O and a molecular weight of 376.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine
PubChem CID67011083
Molecular FormulaC20H16F4N2O
Molecular Weight376.35 g/mol
Exact Mass376.12
IUPAC Name2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine
SMILESFc1ccc(-c2ncccc2C(Cc2cccnc2)OCC(F)(F)F)cc1
InChIInChI=1S/C20H16F4N2O/c21-16-7-5-15(6-8-16)19-17(4-2-10-26-19)18(27-13-20(22,23)24)11-14-3-1-9-25-12-14/h1-10,12,18H,11,13H2
InChIKeyVLPSWISXLPFLCF-UHFFFAOYSA-N
XLogP5.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.35
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine (CID 67011083) is 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine is Fc1ccc(-c2ncccc2C(Cc2cccnc2)OCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine?
The InChIKey is VLPSWISXLPFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O/c21-16-7-5-15(6-8-16)19-17(4-2-10-26-19)18(27-13-20(22,23)24)11-14-3-1-9-25-12-14/h1-10,12,18H,11,13H2.
What are the key properties of 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine?
2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine has a molecular weight of 376.35 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-pyridin-3-yl-1-(2,2,2-trifluoroethoxy)ethyl]pyridine is sourced from PubChem (CID 67011083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).