3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C24H18F4N2 — CID 67337318

About 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 67337318) has the molecular formula C24H18F4N2 and a molecular weight of 410.41 g/mol. Its IUPAC name is 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

• Compound Name: 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
• PubChem CID: 67337318
• Molecular Formula: C24H18F4N2
• Molecular Weight: 410.41 g/mol
• Exact Mass: 410.14
• IUPAC Name: 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
• SMILES: Fc1ccc(C=C2CCCN=C2c2cccnc2)cc1-c1ccccc1C(F)(F)F
• InChI: InChI=1S/C24H18F4N2/c25-22-10-9-16(14-20(22)19-7-1-2-8-21(19)24(26,27)28)13-17-5-4-12-30-23(17)18-6-3-11-29-15-18/h1-3,6-11,13-15H,4-5,12H2
• InChIKey: UJGNDRXLYWHJDC-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 25.25 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.41
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?

The IUPAC name of 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 67337318) is 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

What is the SMILES notation for 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?

The canonical SMILES for 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is Fc1ccc(C=C2CCCN=C2c2cccnc2)cc1-c1ccccc1C(F)(F)F.

What is the InChIKey of 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?

The InChIKey is UJGNDRXLYWHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N2/c25-22-10-9-16(14-20(22)19-7-1-2-8-21(19)24(26,27)28)13-17-5-4-12-30-23(17)18-6-3-11-29-15-18/h1-3,6-11,13-15H,4-5,12H2.

What are the key properties of 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?

3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 410.41 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 67337318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).