3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine

C19H12F5NO3S — CID 22746953

IUPAC3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCS(=O)(=O)c1cc(F)c(-c2cnccc2-c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C19H12F5NO3S/c1-29(26,27)18-9-16(20)14(8-17(18)21)15-10-25-7-6-13(15)11-2-4-12(5-3-11)28-19(22,23)24/h2-10H,1H3
InChIKeySIOQDJQTMBKVCB-UHFFFAOYSA-N
MW429.37 g/mol
LogP5.00
Rot. Bonds4

About 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine

3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 22746953) has the molecular formula C19H12F5NO3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID22746953
Molecular FormulaC19H12F5NO3S
Molecular Weight429.37 g/mol
Exact Mass429.05
IUPAC Name3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCS(=O)(=O)c1cc(F)c(-c2cnccc2-c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C19H12F5NO3S/c1-29(26,27)18-9-16(20)14(8-17(18)21)15-10-25-7-6-13(15)11-2-4-12(5-3-11)28-19(22,23)24/h2-10H,1H3
InChIKeySIOQDJQTMBKVCB-UHFFFAOYSA-N
XLogP5.00
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine (CID 22746953) is 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine is CS(=O)(=O)c1cc(F)c(-c2cnccc2-c2ccc(OC(F)(F)F)cc2)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is SIOQDJQTMBKVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5NO3S/c1-29(26,27)18-9-16(20)14(8-17(18)21)15-10-25-7-6-13(15)11-2-4-12(5-3-11)28-19(22,23)24/h2-10H,1H3.
What are the key properties of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine?
3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 429.37 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 22746953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).