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

C19H15F2NO2S — CID 10522463

IUPAC2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)nc1
InChIInChI=1S/C19H15F2NO2S/c1-12-3-8-19(22-11-12)16-10-18(21)17(20)9-15(16)13-4-6-14(7-5-13)25(2,23)24/h3-11H,1-2H3
InChIKeyYNOSXIZNGZQQRP-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.41
Rot. Bonds3

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

2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine (PubChem CID 10522463) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine
PubChem CID10522463
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)nc1
InChIInChI=1S/C19H15F2NO2S/c1-12-3-8-19(22-11-12)16-10-18(21)17(20)9-15(16)13-4-6-14(7-5-13)25(2,23)24/h3-11H,1-2H3
InChIKeyYNOSXIZNGZQQRP-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 2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine?
The IUPAC name of 2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine (CID 10522463) is 2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine.
What is the SMILES notation for 2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine?
The canonical SMILES for 2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine is Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)nc1.
What is the InChIKey of 2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine?
The InChIKey is YNOSXIZNGZQQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c1-12-3-8-19(22-11-12)16-10-18(21)17(20)9-15(16)13-4-6-14(7-5-13)25(2,23)24/h3-11H,1-2H3.
What are the key properties of 2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine?
2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-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 2-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-5-methylpyridine is sourced from PubChem (CID 10522463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).