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

C6HClF4N2O5S — CID 134665398

IUPAC5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1c(S(=O)(=O)Cl)cnc(OC(F)(F)F)c1F
InChIInChI=1S/C6HClF4N2O5S/c7-19(16,17)2-1-12-5(18-6(9,10)11)3(8)4(2)13(14)15/h1H
InChIKeyNKNQMTHKDVZXIV-UHFFFAOYSA-N
MW324.60 g/mol
LogP1.96
Rot. Bonds3

About 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride

5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 134665398) has the molecular formula C6HClF4N2O5S and a molecular weight of 324.60 g/mol. Its IUPAC name is 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID134665398
Molecular FormulaC6HClF4N2O5S
Molecular Weight324.60 g/mol
Exact Mass323.92
IUPAC Name5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1c(S(=O)(=O)Cl)cnc(OC(F)(F)F)c1F
InChIInChI=1S/C6HClF4N2O5S/c7-19(16,17)2-1-12-5(18-6(9,10)11)3(8)4(2)13(14)15/h1H
InChIKeyNKNQMTHKDVZXIV-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134682371
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
2-fluoro-3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969157
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822883
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134671215
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753
2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 134680139
4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118850688
4-chloro-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969613

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 134665398) is 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is O=[N+]([O-])c1c(S(=O)(=O)Cl)cnc(OC(F)(F)F)c1F.
What is the InChIKey of 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is NKNQMTHKDVZXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF4N2O5S/c7-19(16,17)2-1-12-5(18-6(9,10)11)3(8)4(2)13(14)15/h1H.
What are the key properties of 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-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 5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134665398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).