2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine

C22H20F3N — CID 177399020

IUPAC2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccc(-c2c(C)nc(C)c(-c3ccccc3C(F)(F)F)c2C)cc1
InChIInChI=1S/C22H20F3N/c1-13-9-11-17(12-10-13)20-14(2)21(16(4)26-15(20)3)18-7-5-6-8-19(18)22(23,24)25/h5-12H,1-4H3
InChIKeyHWPXEFCBHIGTHD-UHFFFAOYSA-N
MW355.40 g/mol
LogP6.67
Rot. Bonds2

About 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine

2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 177399020) has the molecular formula C22H20F3N and a molecular weight of 355.40 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID177399020
Molecular FormulaC22H20F3N
Molecular Weight355.40 g/mol
Exact Mass355.15
IUPAC Name2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccc(-c2c(C)nc(C)c(-c3ccccc3C(F)(F)F)c2C)cc1
InChIInChI=1S/C22H20F3N/c1-13-9-11-17(12-10-13)20-14(2)21(16(4)26-15(20)3)18-7-5-6-8-19(18)22(23,24)25/h5-12H,1-4H3
InChIKeyHWPXEFCBHIGTHD-UHFFFAOYSA-N
XLogP6.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine (CID 177399020) is 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine is Cc1ccc(-c2c(C)nc(C)c(-c3ccccc3C(F)(F)F)c2C)cc1.
What is the InChIKey of 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is HWPXEFCBHIGTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N/c1-13-9-11-17(12-10-13)20-14(2)21(16(4)26-15(20)3)18-7-5-6-8-19(18)22(23,24)25/h5-12H,1-4H3.
What are the key properties of 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine?
2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 355.40 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 177399020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).