2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine

C25H20F3N3O — CID 118088039

About 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine

2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine (PubChem CID 118088039) has the molecular formula C25H20F3N3O and a molecular weight of 435.45 g/mol. Its IUPAC name is 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine
• PubChem CID: 118088039
• Molecular Formula: C25H20F3N3O
• Molecular Weight: 435.45 g/mol
• Exact Mass: 435.16
• IUPAC Name: 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine
• SMILES: Cc1ncccc1-c1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1
• InChI: InChI=1S/C25H20F3N3O/c1-17-21(9-5-13-29-17)22-8-3-2-6-18(22)14-20-7-4-10-23(31-20)19-11-12-24(30-15-19)32-16-25(26,27)28/h2-13,15H,14,16H2,1H3
• InChIKey: UCKVIMPWWZCNRA-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.45
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine?

The IUPAC name of 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine (CID 118088039) is 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine.

What is the SMILES notation for 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine?

The canonical SMILES for 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine is Cc1ncccc1-c1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1.

What is the InChIKey of 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine?

The InChIKey is UCKVIMPWWZCNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O/c1-17-21(9-5-13-29-17)22-8-3-2-6-18(22)14-20-7-4-10-23(31-20)19-11-12-24(30-15-19)32-16-25(26,27)28/h2-13,15H,14,16H2,1H3.

What are the key properties of 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine?

2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine has a molecular weight of 435.45 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine is sourced from PubChem (CID 118088039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).