2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine

C10H4Cl4N2OS — CID 20526599

IUPAC2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine
SMILES[O-][n+]1ccccc1Sc1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H4Cl4N2OS/c11-6-7(12)9(14)15-10(8(6)13)18-5-3-1-2-4-16(5)17/h1-4H
InChIKeyAAZVSCPQIHCHQT-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.48
Rot. Bonds2

About 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine

2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine (PubChem CID 20526599) has the molecular formula C10H4Cl4N2OS and a molecular weight of 342.03 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine
PubChem CID20526599
Molecular FormulaC10H4Cl4N2OS
Molecular Weight342.03 g/mol
Exact Mass339.88
IUPAC Name2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine
SMILES[O-][n+]1ccccc1Sc1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H4Cl4N2OS/c11-6-7(12)9(14)15-10(8(6)13)18-5-3-1-2-4-16(5)17/h1-4H
InChIKeyAAZVSCPQIHCHQT-UHFFFAOYSA-N
XLogP4.48
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine?
The IUPAC name of 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine (CID 20526599) is 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine?
The canonical SMILES for 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine is [O-][n+]1ccccc1Sc1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine?
The InChIKey is AAZVSCPQIHCHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4N2OS/c11-6-7(12)9(14)15-10(8(6)13)18-5-3-1-2-4-16(5)17/h1-4H.
What are the key properties of 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine?
2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine has a molecular weight of 342.03 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloro-6-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine is sourced from PubChem (CID 20526599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).