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

C15H14F4N2O2S — CID 122467209

IUPAC3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine
SMILESCCS(=O)c1cccnc1-c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C15H14F4N2O2S/c1-2-24(22)12-4-3-7-20-13(12)11-6-5-10(8-21-11)23-9-15(18,19)14(16)17/h3-8,14H,2,9H2,1H3
InChIKeyNCSVNUAAOQSUMM-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.55
Rot. Bonds7

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

3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine (PubChem CID 122467209) has the molecular formula C15H14F4N2O2S and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine
PubChem CID122467209
Molecular FormulaC15H14F4N2O2S
Molecular Weight362.35 g/mol
Exact Mass362.07
IUPAC Name3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine
SMILESCCS(=O)c1cccnc1-c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C15H14F4N2O2S/c1-2-24(22)12-4-3-7-20-13(12)11-6-5-10(8-21-11)23-9-15(18,19)14(16)17/h3-8,14H,2,9H2,1H3
InChIKeyNCSVNUAAOQSUMM-UHFFFAOYSA-N
XLogP3.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine?
The IUPAC name of 3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine (CID 122467209) is 3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine?
The canonical SMILES for 3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine is CCS(=O)c1cccnc1-c1ccc(OCC(F)(F)C(F)F)cn1.
What is the InChIKey of 3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine?
The InChIKey is NCSVNUAAOQSUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O2S/c1-2-24(22)12-4-3-7-20-13(12)11-6-5-10(8-21-11)23-9-15(18,19)14(16)17/h3-8,14H,2,9H2,1H3.
What are the key properties of 3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine?
3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine has a molecular weight of 362.35 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-2-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridine is sourced from PubChem (CID 122467209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).