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

C24H22F3NO — CID 141113015

IUPAC2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1COc1cccc2c1CCCC2
InChIInChI=1S/C24H22F3NO/c1-16-19(15-29-23-8-4-6-17-5-2-3-7-21(17)23)11-14-22(28-16)18-9-12-20(13-10-18)24(25,26)27/h4,6,8-14H,2-3,5,7,15H2,1H3
InChIKeyGZCJZKHTGSRPCM-UHFFFAOYSA-N
MW397.44 g/mol
LogP6.53
Rot. Bonds4

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

2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 141113015) has the molecular formula C24H22F3NO and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID141113015
Molecular FormulaC24H22F3NO
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1COc1cccc2c1CCCC2
InChIInChI=1S/C24H22F3NO/c1-16-19(15-29-23-8-4-6-17-5-2-3-7-21(17)23)11-14-22(28-16)18-9-12-20(13-10-18)24(25,26)27/h4,6,8-14H,2-3,5,7,15H2,1H3
InChIKeyGZCJZKHTGSRPCM-UHFFFAOYSA-N
XLogP6.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.44
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (CID 141113015) is 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1COc1cccc2c1CCCC2.
What is the InChIKey of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is GZCJZKHTGSRPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO/c1-16-19(15-29-23-8-4-6-17-5-2-3-7-21(17)23)11-14-22(28-16)18-9-12-20(13-10-18)24(25,26)27/h4,6,8-14H,2-3,5,7,15H2,1H3.
What are the key properties of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 397.44 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 141113015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).