2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride

C6HClF4N2O5S — CID 134680139

IUPAC2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)c(OC(F)(F)F)c(F)n1
InChIInChI=1S/C6HClF4N2O5S/c7-19(16,17)2-1-3(13(14)15)12-5(8)4(2)18-6(9,10)11/h1H
InChIKeyCVRJXWCSGDJVRE-UHFFFAOYSA-N
MW324.60 g/mol
LogP1.96
Rot. Bonds3

About 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride

2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride (PubChem CID 134680139) has the molecular formula C6HClF4N2O5S and a molecular weight of 324.60 g/mol. Its IUPAC name is 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
PubChem CID134680139
Molecular FormulaC6HClF4N2O5S
Molecular Weight324.60 g/mol
Exact Mass323.92
IUPAC Name2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)c(OC(F)(F)F)c(F)n1
InChIInChI=1S/C6HClF4N2O5S/c7-19(16,17)2-1-3(13(14)15)12-5(8)4(2)18-6(9,10)11/h1H
InChIKeyCVRJXWCSGDJVRE-UHFFFAOYSA-N
XLogP1.96
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.60
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969400
2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134661564
4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134680057
2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 134662841
4-chloro-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969613
3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
2-fluoro-3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969157
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
4-ethyl-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969662
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride?
The IUPAC name of 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride (CID 134680139) is 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride?
The canonical SMILES for 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride is O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(OC(F)(F)F)c(F)n1.
What is the InChIKey of 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride?
The InChIKey is CVRJXWCSGDJVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF4N2O5S/c7-19(16,17)2-1-3(13(14)15)12-5(8)4(2)18-6(9,10)11/h1H.
What are the key properties of 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride?
2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride has a molecular weight of 324.60 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride is sourced from PubChem (CID 134680139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).