3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine

C17H12F2N2O2S — CID 22745739

IUPAC3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine
SMILESCS(=O)(=O)c1c(F)cc(-c2cnccc2-c2cccnc2)cc1F
InChIInChI=1S/C17H12F2N2O2S/c1-24(22,23)17-15(18)7-12(8-16(17)19)14-10-21-6-4-13(14)11-3-2-5-20-9-11/h2-10H,1H3
InChIKeyMKJNAIZZIFIMAS-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.49
Rot. Bonds3

About 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine

3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine (PubChem CID 22745739) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine
PubChem CID22745739
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine
SMILESCS(=O)(=O)c1c(F)cc(-c2cnccc2-c2cccnc2)cc1F
InChIInChI=1S/C17H12F2N2O2S/c1-24(22,23)17-15(18)7-12(8-16(17)19)14-10-21-6-4-13(14)11-3-2-5-20-9-11/h2-10H,1H3
InChIKeyMKJNAIZZIFIMAS-UHFFFAOYSA-N
XLogP3.49
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine?
The IUPAC name of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine (CID 22745739) is 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine.
What is the SMILES notation for 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine?
The canonical SMILES for 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine is CS(=O)(=O)c1c(F)cc(-c2cnccc2-c2cccnc2)cc1F.
What is the InChIKey of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine?
The InChIKey is MKJNAIZZIFIMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c1-24(22,23)17-15(18)7-12(8-16(17)19)14-10-21-6-4-13(14)11-3-2-5-20-9-11/h2-10H,1H3.
What are the key properties of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine?
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine has a molecular weight of 346.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine is sourced from PubChem (CID 22745739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).