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

C25H20F3N3O2 — CID 118073516

IUPAC2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine
SMILESCOc1ncccc1-c1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C25H20F3N3O2/c1-32-24-21(9-5-13-29-24)20-8-3-2-6-17(20)14-19-7-4-10-22(31-19)18-11-12-23(30-15-18)33-16-25(26,27)28/h2-13,15H,14,16H2,1H3
InChIKeyLUJYUVLUDROCTL-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.75
Rot. Bonds7

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

2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine (PubChem CID 118073516) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine
PubChem CID118073516
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine
SMILESCOc1ncccc1-c1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C25H20F3N3O2/c1-32-24-21(9-5-13-29-24)20-8-3-2-6-17(20)14-19-7-4-10-22(31-19)18-11-12-23(30-15-18)33-16-25(26,27)28/h2-13,15H,14,16H2,1H3
InChIKeyLUJYUVLUDROCTL-UHFFFAOYSA-N
XLogP5.75
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine?
The IUPAC name of 2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine (CID 118073516) is 2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine?
The canonical SMILES for 2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine is COc1ncccc1-c1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1.
What is the InChIKey of 2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine?
The InChIKey is LUJYUVLUDROCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-32-24-21(9-5-13-29-24)20-8-3-2-6-17(20)14-19-7-4-10-22(31-19)18-11-12-23(30-15-18)33-16-25(26,27)28/h2-13,15H,14,16H2,1H3.
What are the key properties of 2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine?
2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine has a molecular weight of 451.45 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine is sourced from PubChem (CID 118073516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).