2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine

C15H15F3N2OS — CID 134166728

IUPAC2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine
SMILESCCSc1cccnc1-c1ccc(OC(F)(F)C(C)F)cn1
InChIInChI=1S/C15H15F3N2OS/c1-3-22-13-5-4-8-19-14(13)12-7-6-11(9-20-12)21-15(17,18)10(2)16/h4-10H,3H2,1-2H3
InChIKeySUUFXDHONHEVIG-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.59
Rot. Bonds6

About 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine

2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine (PubChem CID 134166728) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine
PubChem CID134166728
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Name2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine
SMILESCCSc1cccnc1-c1ccc(OC(F)(F)C(C)F)cn1
InChIInChI=1S/C15H15F3N2OS/c1-3-22-13-5-4-8-19-14(13)12-7-6-11(9-20-12)21-15(17,18)10(2)16/h4-10H,3H2,1-2H3
InChIKeySUUFXDHONHEVIG-UHFFFAOYSA-N
XLogP4.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine?
The IUPAC name of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine (CID 134166728) is 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine.
What is the SMILES notation for 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine?
The canonical SMILES for 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine is CCSc1cccnc1-c1ccc(OC(F)(F)C(C)F)cn1.
What is the InChIKey of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine?
The InChIKey is SUUFXDHONHEVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-3-22-13-5-4-8-19-14(13)12-7-6-11(9-20-12)21-15(17,18)10(2)16/h4-10H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine?
2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine has a molecular weight of 328.36 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2-trifluoropropoxy)pyridine is sourced from PubChem (CID 134166728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).