2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine

C11H10Cl3F3N2S — CID 14965130

IUPAC2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1c(Cl)c(Cl)nc(N2CCCCC2)c1Cl
InChIInChI=1S/C11H10Cl3F3N2S/c12-6-8(20-11(15,16)17)7(13)10(18-9(6)14)19-4-2-1-3-5-19/h1-5H2
InChIKeyYYKZWOHJZOJISE-UHFFFAOYSA-N
MW365.64 g/mol
LogP5.64
Rot. Bonds2

About 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine

2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine (PubChem CID 14965130) has the molecular formula C11H10Cl3F3N2S and a molecular weight of 365.64 g/mol. Its IUPAC name is 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine
PubChem CID14965130
Molecular FormulaC11H10Cl3F3N2S
Molecular Weight365.64 g/mol
Exact Mass363.96
IUPAC Name2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1c(Cl)c(Cl)nc(N2CCCCC2)c1Cl
InChIInChI=1S/C11H10Cl3F3N2S/c12-6-8(20-11(15,16)17)7(13)10(18-9(6)14)19-4-2-1-3-5-19/h1-5H2
InChIKeyYYKZWOHJZOJISE-UHFFFAOYSA-N
XLogP5.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.64
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine (CID 14965130) is 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine is FC(F)(F)Sc1c(Cl)c(Cl)nc(N2CCCCC2)c1Cl.
What is the InChIKey of 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine?
The InChIKey is YYKZWOHJZOJISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3F3N2S/c12-6-8(20-11(15,16)17)7(13)10(18-9(6)14)19-4-2-1-3-5-19/h1-5H2.
What are the key properties of 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine?
2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine has a molecular weight of 365.64 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-piperidin-1-yl-4-(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 14965130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).