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

C25H20F3N3O — CID 118088039

IUPAC2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine
SMILESCc1ncccc1-c1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=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
InChIKeyUCKVIMPWWZCNRA-UHFFFAOYSA-N
MW435.45 g/mol
LogP6.05
Rot. Bonds6

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 Name2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine
PubChem CID118088039
Molecular FormulaC25H20F3N3O
Molecular Weight435.45 g/mol
Exact Mass435.16
IUPAC Name2-methyl-3-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyridine
SMILESCc1ncccc1-c1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=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
InChIKeyUCKVIMPWWZCNRA-UHFFFAOYSA-N
XLogP6.05
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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).