4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine

C10H8Cl3F3N2OS — CID 14965131

IUPAC4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)Sc1c(Cl)c(Cl)nc(N2CCOCC2)c1Cl
InChIInChI=1S/C10H8Cl3F3N2OS/c11-5-7(20-10(14,15)16)6(12)9(17-8(5)13)18-1-3-19-4-2-18/h1-4H2
InChIKeyXZYQXPRTNPGEOO-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.49
Rot. Bonds2

About 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine

4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine (PubChem CID 14965131) has the molecular formula C10H8Cl3F3N2OS and a molecular weight of 367.61 g/mol. Its IUPAC name is 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine
PubChem CID14965131
Molecular FormulaC10H8Cl3F3N2OS
Molecular Weight367.61 g/mol
Exact Mass365.94
IUPAC Name4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)Sc1c(Cl)c(Cl)nc(N2CCOCC2)c1Cl
InChIInChI=1S/C10H8Cl3F3N2OS/c11-5-7(20-10(14,15)16)6(12)9(17-8(5)13)18-1-3-19-4-2-18/h1-4H2
InChIKeyXZYQXPRTNPGEOO-UHFFFAOYSA-N
XLogP4.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine (CID 14965131) is 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine is FC(F)(F)Sc1c(Cl)c(Cl)nc(N2CCOCC2)c1Cl.
What is the InChIKey of 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine?
The InChIKey is XZYQXPRTNPGEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3F3N2OS/c11-5-7(20-10(14,15)16)6(12)9(17-8(5)13)18-1-3-19-4-2-18/h1-4H2.
What are the key properties of 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine?
4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine has a molecular weight of 367.61 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5,6-trichloro-4-(trifluoromethylsulfanyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 14965131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).