3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine

C24H18F3N3 — CID 66829417

IUPAC3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H18F3N3/c25-24(26,27)21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2
InChIKeyNBLXPHPZXQCKAU-UHFFFAOYSA-N
MW405.42 g/mol
LogP5.93
Rot. Bonds5

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

3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 66829417) has the molecular formula C24H18F3N3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID66829417
Molecular FormulaC24H18F3N3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H18F3N3/c25-24(26,27)21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2
InChIKeyNBLXPHPZXQCKAU-UHFFFAOYSA-N
XLogP5.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine (CID 66829417) is 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is NBLXPHPZXQCKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3/c25-24(26,27)21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2.
What are the key properties of 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine?
3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 405.42 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 66829417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).