2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane

C52H64F3N3O2S — CID 160779400

IUPAC2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane
SMILESC.COc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(OC(F)(F)F)cc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C17H18F3NO.C17H21NO.C17H21NS.CH4/c1-11-8-9-12(22-17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;2*1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;/h5-10H,1-4H3;2*6-11H,1-5H3;1H4
InChIKeySAJJYDAQKZIWAR-UHFFFAOYSA-N
MW852.16 g/mol
LogP15.33
Rot. Bonds6

About 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane

2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane (PubChem CID 160779400) has the molecular formula C52H64F3N3O2S and a molecular weight of 852.16 g/mol. Its IUPAC name is 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane.

Molecular Properties

Compound Name2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane
PubChem CID160779400
Molecular FormulaC52H64F3N3O2S
Molecular Weight852.16 g/mol
Exact Mass851.47
IUPAC Name2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane
SMILESC.COc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(OC(F)(F)F)cc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C17H18F3NO.C17H21NO.C17H21NS.CH4/c1-11-8-9-12(22-17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;2*1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;/h5-10H,1-4H3;2*6-11H,1-5H3;1H4
InChIKeySAJJYDAQKZIWAR-UHFFFAOYSA-N
XLogP15.33
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.16
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane with MolForge

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Related Compounds

4-(4-Methoxyphenyl)-6-[2-[4-(4-methoxyphenyl)-6-phenyl-5-(trifluoromethyl)pyridin-2-yl]phenyl]-2-phenyl-3-(trifluoromethyl)pyridine
CID 57660381
1-Tert-butyl-2-fluoro-3-(5-methoxy-2-methylphenyl)benzene;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tetrakis(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethoxy)phenyl]benzene;1-[3-(3-tert-butyl-2-fluorophenyl)-4-methylphenyl]ethanone;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone)
CID 157138416
2-Tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfanyl)phenyl]pyridine;methane
CID 159903050
2-Tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 160026095
2-Tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 160793977
Bis(2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine);2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;methane
CID 158948338
Bis(2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine);2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 160278985

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane?
The IUPAC name of 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane (CID 160779400) is 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane.
What is the SMILES notation for 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane?
The canonical SMILES for 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane is C.COc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(OC(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane?
The InChIKey is SAJJYDAQKZIWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO.C17H21NO.C17H21NS.CH4/c1-11-8-9-12(22-17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;2*1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;/h5-10H,1-4H3;2*6-11H,1-5H3;1H4.
What are the key properties of 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane?
2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane has a molecular weight of 852.16 g/mol, XLogP of 15.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;methane is sourced from PubChem (CID 160779400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).