5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine

C19H15F2NO2S — CID 10570444

IUPAC5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H15F2NO2S/c1-12-3-4-14(11-22-12)17-10-19(21)18(20)9-16(17)13-5-7-15(8-6-13)25(2,23)24/h3-11H,1-2H3
InChIKeyMKFHCOCWLKUAMC-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.41
Rot. Bonds3

About 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine

5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine (PubChem CID 10570444) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine
PubChem CID10570444
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H15F2NO2S/c1-12-3-4-14(11-22-12)17-10-19(21)18(20)9-16(17)13-5-7-15(8-6-13)25(2,23)24/h3-11H,1-2H3
InChIKeyMKFHCOCWLKUAMC-UHFFFAOYSA-N
XLogP4.41
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine?
The IUPAC name of 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine (CID 10570444) is 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine.
What is the SMILES notation for 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine?
The canonical SMILES for 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine is Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine?
The InChIKey is MKFHCOCWLKUAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c1-12-3-4-14(11-22-12)17-10-19(21)18(20)9-16(17)13-5-7-15(8-6-13)25(2,23)24/h3-11H,1-2H3.
What are the key properties of 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine?
5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine has a molecular weight of 359.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methylpyridine is sourced from PubChem (CID 10570444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).