3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine

C23H16F3N3O — CID 24760481

IUPAC3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2ncccc2OC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)19-8-1-5-16(13-19)21-20(9-4-12-29-21)30-22(17-6-2-10-27-14-17)18-7-3-11-28-15-18/h1-15,22H
InChIKeyPBAJWUQXHWLXGY-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.73
Rot. Bonds5

About 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine

3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 24760481) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID24760481
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2ncccc2OC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)19-8-1-5-16(13-19)21-20(9-4-12-29-21)30-22(17-6-2-10-27-14-17)18-7-3-11-28-15-18/h1-15,22H
InChIKeyPBAJWUQXHWLXGY-UHFFFAOYSA-N
XLogP5.73
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine (CID 24760481) is 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cccc(-c2ncccc2OC(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PBAJWUQXHWLXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)19-8-1-5-16(13-19)21-20(9-4-12-29-21)30-22(17-6-2-10-27-14-17)18-7-3-11-28-15-18/h1-15,22H.
What are the key properties of 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine?
3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 407.40 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24760481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).