6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride

C6H2ClF4NO4S — CID 131404456

IUPAC6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
SMILESO=c1[nH]c(F)cc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C6H2ClF4NO4S/c7-17(14,15)2-1-3(8)12-5(13)4(2)16-6(9,10)11/h1H,(H,12,13)
InChIKeyHZLSNNGRTJOCGW-UHFFFAOYSA-N
MW295.60 g/mol
LogP1.34
Rot. Bonds2

About 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride

6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride (PubChem CID 131404456) has the molecular formula C6H2ClF4NO4S and a molecular weight of 295.60 g/mol. Its IUPAC name is 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
PubChem CID131404456
Molecular FormulaC6H2ClF4NO4S
Molecular Weight295.60 g/mol
Exact Mass294.93
IUPAC Name6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
SMILESO=c1[nH]c(F)cc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C6H2ClF4NO4S/c7-17(14,15)2-1-3(8)12-5(13)4(2)16-6(9,10)11/h1H,(H,12,13)
InChIKeyHZLSNNGRTJOCGW-UHFFFAOYSA-N
XLogP1.34
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.60
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
The IUPAC name of 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride (CID 131404456) is 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride.
What is the SMILES notation for 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
The canonical SMILES for 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride is O=c1[nH]c(F)cc(S(=O)(=O)Cl)c1OC(F)(F)F.
What is the InChIKey of 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
The InChIKey is HZLSNNGRTJOCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF4NO4S/c7-17(14,15)2-1-3(8)12-5(13)4(2)16-6(9,10)11/h1H,(H,12,13).
What are the key properties of 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride has a molecular weight of 295.60 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride is sourced from PubChem (CID 131404456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).