3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine

C25H23F3N2 — CID 87204618

About 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine

3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine (PubChem CID 87204618) has the molecular formula C25H23F3N2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine
• PubChem CID: 87204618
• Molecular Formula: C25H23F3N2
• Molecular Weight: 408.47 g/mol
• Exact Mass: 408.18
• IUPAC Name: 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine
• SMILES: Cc1c(F)c(F)cc(C2=CCN(CCc3ccc(-c4cccnc4)cc3)CC2)c1F
• InChI: InChI=1S/C25H23F3N2/c1-17-24(27)22(15-23(26)25(17)28)20-9-13-30(14-10-20)12-8-18-4-6-19(7-5-18)21-3-2-11-29-16-21/h2-7,9,11,15-16H,8,10,12-14H2,1H3
• InChIKey: OTAACHQORYSFON-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.47
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine?

The IUPAC name of 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine (CID 87204618) is 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine.

What is the SMILES notation for 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine?

The canonical SMILES for 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine is Cc1c(F)c(F)cc(C2=CCN(CCc3ccc(-c4cccnc4)cc3)CC2)c1F.

What is the InChIKey of 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine?

The InChIKey is OTAACHQORYSFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2/c1-17-24(27)22(15-23(26)25(17)28)20-9-13-30(14-10-20)12-8-18-4-6-19(7-5-18)21-3-2-11-29-16-21/h2-7,9,11,15-16H,8,10,12-14H2,1H3.

What are the key properties of 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine?

3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine has a molecular weight of 408.47 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]pyridine is sourced from PubChem (CID 87204618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).