3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine

C25H18F4N2 — CID 67264841

IUPAC3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(CC(c2cccnc2)c2cccnc2)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H18F4N2/c26-22-9-8-18(24(14-22)17-4-1-7-21(12-17)25(27,28)29)13-23(19-5-2-10-30-15-19)20-6-3-11-31-16-20/h1-12,14-16,23H,13H2
InChIKeyUFSPOROCAWGVQP-UHFFFAOYSA-N
MW422.43 g/mol
LogP6.68
Rot. Bonds5

About 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine

3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine (PubChem CID 67264841) has the molecular formula C25H18F4N2 and a molecular weight of 422.43 g/mol. Its IUPAC name is 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine
PubChem CID67264841
Molecular FormulaC25H18F4N2
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine
SMILESFc1ccc(CC(c2cccnc2)c2cccnc2)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H18F4N2/c26-22-9-8-18(24(14-22)17-4-1-7-21(12-17)25(27,28)29)13-23(19-5-2-10-30-15-19)20-6-3-11-31-16-20/h1-12,14-16,23H,13H2
InChIKeyUFSPOROCAWGVQP-UHFFFAOYSA-N
XLogP6.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.43
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine?
The IUPAC name of 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine (CID 67264841) is 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine.
What is the SMILES notation for 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine?
The canonical SMILES for 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine is Fc1ccc(CC(c2cccnc2)c2cccnc2)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine?
The InChIKey is UFSPOROCAWGVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2/c26-22-9-8-18(24(14-22)17-4-1-7-21(12-17)25(27,28)29)13-23(19-5-2-10-30-15-19)20-6-3-11-31-16-20/h1-12,14-16,23H,13H2.
What are the key properties of 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine?
3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine has a molecular weight of 422.43 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine is sourced from PubChem (CID 67264841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).