2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine

C20H16F3N — CID 163288516

IUPAC2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
SMILESCc1cccc(-c2cc(C(F)(F)F)cc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C20H16F3N/c1-13-5-3-7-15(9-13)18-11-17(20(21,22)23)12-19(24-18)16-8-4-6-14(2)10-16/h3-12H,1-2H3
InChIKeyUXAXUVTYFOLHNL-UHFFFAOYSA-N
MW327.35 g/mol
LogP6.05
Rot. Bonds2

About 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine

2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine (PubChem CID 163288516) has the molecular formula C20H16F3N and a molecular weight of 327.35 g/mol. Its IUPAC name is 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
PubChem CID163288516
Molecular FormulaC20H16F3N
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC Name2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
SMILESCc1cccc(-c2cc(C(F)(F)F)cc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C20H16F3N/c1-13-5-3-7-15(9-13)18-11-17(20(21,22)23)12-19(24-18)16-8-4-6-14(2)10-16/h3-12H,1-2H3
InChIKeyUXAXUVTYFOLHNL-UHFFFAOYSA-N
XLogP6.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.35
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 91926916
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 122476263
4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine
CID 155775338
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374
ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine
CID 144595447
2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine
CID 29088820
ethane;4-(3-methylphenyl)-2,6-diphenylpyridine
CID 144632055
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene
CID 54289546
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine (CID 163288516) is 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine is Cc1cccc(-c2cc(C(F)(F)F)cc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine?
The InChIKey is UXAXUVTYFOLHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N/c1-13-5-3-7-15(9-13)18-11-17(20(21,22)23)12-19(24-18)16-8-4-6-14(2)10-16/h3-12H,1-2H3.
What are the key properties of 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine?
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine has a molecular weight of 327.35 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 163288516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).