4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine

C21H18F3N — CID 170284626

IUPAC4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCc1cnc(-c2ccc(C)c(-c3ccc(C(F)(F)F)cc3)c2)cc1C
InChIInChI=1S/C21H18F3N/c1-13-4-5-17(20-10-14(2)15(3)12-25-20)11-19(13)16-6-8-18(9-7-16)21(22,23)24/h4-12H,1-3H3
InChIKeyAUHSCAXQXQEJAH-UHFFFAOYSA-N
MW341.38 g/mol
LogP6.36
Rot. Bonds2

About 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine

4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine (PubChem CID 170284626) has the molecular formula C21H18F3N and a molecular weight of 341.38 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine
PubChem CID170284626
Molecular FormulaC21H18F3N
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCc1cnc(-c2ccc(C)c(-c3ccc(C(F)(F)F)cc3)c2)cc1C
InChIInChI=1S/C21H18F3N/c1-13-4-5-17(20-10-14(2)15(3)12-25-20)11-19(13)16-6-8-18(9-7-16)21(22,23)24/h4-12H,1-3H3
InChIKeyAUHSCAXQXQEJAH-UHFFFAOYSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.38
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine?
The IUPAC name of 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine (CID 170284626) is 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine is Cc1cnc(-c2ccc(C)c(-c3ccc(C(F)(F)F)cc3)c2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine?
The InChIKey is AUHSCAXQXQEJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N/c1-13-4-5-17(20-10-14(2)15(3)12-25-20)11-19(13)16-6-8-18(9-7-16)21(22,23)24/h4-12H,1-3H3.
What are the key properties of 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine?
4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine has a molecular weight of 341.38 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 170284626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).