3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine

C15H12F6N2O2S — CID 122467185

IUPAC3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine
SMILESCCS(=O)c1cccnc1-c1ccc(OC(F)(F)C(F)C(F)(F)F)cn1
InChIInChI=1S/C15H12F6N2O2S/c1-2-26(24)11-4-3-7-22-12(11)10-6-5-9(8-23-10)25-15(20,21)13(16)14(17,18)19/h3-8,13H,2H2,1H3
InChIKeyCXWFUJYCOFMUBX-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.14
Rot. Bonds6

About 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine

3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine (PubChem CID 122467185) has the molecular formula C15H12F6N2O2S and a molecular weight of 398.33 g/mol. Its IUPAC name is 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine
PubChem CID122467185
Molecular FormulaC15H12F6N2O2S
Molecular Weight398.33 g/mol
Exact Mass398.05
IUPAC Name3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine
SMILESCCS(=O)c1cccnc1-c1ccc(OC(F)(F)C(F)C(F)(F)F)cn1
InChIInChI=1S/C15H12F6N2O2S/c1-2-26(24)11-4-3-7-22-12(11)10-6-5-9(8-23-10)25-15(20,21)13(16)14(17,18)19/h3-8,13H,2H2,1H3
InChIKeyCXWFUJYCOFMUBX-UHFFFAOYSA-N
XLogP4.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine?
The IUPAC name of 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine (CID 122467185) is 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine?
The canonical SMILES for 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine is CCS(=O)c1cccnc1-c1ccc(OC(F)(F)C(F)C(F)(F)F)cn1.
What is the InChIKey of 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine?
The InChIKey is CXWFUJYCOFMUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O2S/c1-2-26(24)11-4-3-7-22-12(11)10-6-5-9(8-23-10)25-15(20,21)13(16)14(17,18)19/h3-8,13H,2H2,1H3.
What are the key properties of 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine?
3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine has a molecular weight of 398.33 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-2-[5-(1,1,2,3,3,3-hexafluoropropoxy)-2-pyridinyl]pyridine is sourced from PubChem (CID 122467185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).