2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine

C25H24F3NO — CID 141113012

IUPAC2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CCOc1cccc2c1CCCC2
InChIInChI=1S/C25H24F3NO/c1-17-18(15-16-30-24-8-4-6-19-5-2-3-7-22(19)24)11-14-23(29-17)20-9-12-21(13-10-20)25(26,27)28/h4,6,8-14H,2-3,5,7,15-16H2,1H3
InChIKeyUWQHVUHRUYXZGQ-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.58
Rot. Bonds5

About 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine

2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 141113012) has the molecular formula C25H24F3NO and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID141113012
Molecular FormulaC25H24F3NO
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CCOc1cccc2c1CCCC2
InChIInChI=1S/C25H24F3NO/c1-17-18(15-16-30-24-8-4-6-19-5-2-3-7-22(19)24)11-14-23(29-17)20-9-12-21(13-10-20)25(26,27)28/h4,6,8-14H,2-3,5,7,15-16H2,1H3
InChIKeyUWQHVUHRUYXZGQ-UHFFFAOYSA-N
XLogP6.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine (CID 141113012) is 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine is Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CCOc1cccc2c1CCCC2.
What is the InChIKey of 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is UWQHVUHRUYXZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO/c1-17-18(15-16-30-24-8-4-6-19-5-2-3-7-22(19)24)11-14-23(29-17)20-9-12-21(13-10-20)25(26,27)28/h4,6,8-14H,2-3,5,7,15-16H2,1H3.
What are the key properties of 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine?
2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 411.47 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 141113012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).