2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine

C19H14F3NO — CID 138968838

IUPAC2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H14F3NO/c1-24-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(23-17)19(20,21)22/h2-12H,1H3
InChIKeyKMAIDQNLHJWJPP-UHFFFAOYSA-N
MW329.32 g/mol
LogP5.44
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine

2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine (PubChem CID 138968838) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine
PubChem CID138968838
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H14F3NO/c1-24-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(23-17)19(20,21)22/h2-12H,1H3
InChIKeyKMAIDQNLHJWJPP-UHFFFAOYSA-N
XLogP5.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.32
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine (CID 138968838) is 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine is COc1ccc(-c2cc(-c3ccccc3)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine?
The InChIKey is KMAIDQNLHJWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c1-24-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(23-17)19(20,21)22/h2-12H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine?
2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine has a molecular weight of 329.32 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-phenyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 138968838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).