4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine

C20H18FNO2S — CID 70122138

IUPAC4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine
SMILESCc1cc(C)cc(-c2ccncc2-c2ccc(S(C)(=O)=O)c(F)c2)c1
InChIInChI=1S/C20H18FNO2S/c1-13-8-14(2)10-16(9-13)17-6-7-22-12-18(17)15-4-5-20(19(21)11-15)25(3,23)24/h4-12H,1-3H3
InChIKeyQGCNZJMIFJNLGY-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.58
Rot. Bonds3

About 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine

4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine (PubChem CID 70122138) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine
PubChem CID70122138
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine
SMILESCc1cc(C)cc(-c2ccncc2-c2ccc(S(C)(=O)=O)c(F)c2)c1
InChIInChI=1S/C20H18FNO2S/c1-13-8-14(2)10-16(9-13)17-6-7-22-12-18(17)15-4-5-20(19(21)11-15)25(3,23)24/h4-12H,1-3H3
InChIKeyQGCNZJMIFJNLGY-UHFFFAOYSA-N
XLogP4.58
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine?
The IUPAC name of 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine (CID 70122138) is 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine is Cc1cc(C)cc(-c2ccncc2-c2ccc(S(C)(=O)=O)c(F)c2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine?
The InChIKey is QGCNZJMIFJNLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-13-8-14(2)10-16(9-13)17-6-7-22-12-18(17)15-4-5-20(19(21)11-15)25(3,23)24/h4-12H,1-3H3.
What are the key properties of 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine?
4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine has a molecular weight of 355.43 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 70122138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).