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

C6H2ClF3N2O6S — CID 134662841

IUPAC2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
SMILESO=c1cc(S(=O)(=O)Cl)c(OC(F)(F)F)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H2ClF3N2O6S/c7-19(16,17)2-1-3(13)11-5(12(14)15)4(2)18-6(8,9)10/h1H,(H,11,13)
InChIKeyYOGKIOOYZRBKAQ-UHFFFAOYSA-N
MW322.60 g/mol
LogP1.11
Rot. Bonds3

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

2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride (PubChem CID 134662841) has the molecular formula C6H2ClF3N2O6S and a molecular weight of 322.60 g/mol. Its IUPAC name is 2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
PubChem CID134662841
Molecular FormulaC6H2ClF3N2O6S
Molecular Weight322.60 g/mol
Exact Mass321.93
IUPAC Name2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
SMILESO=c1cc(S(=O)(=O)Cl)c(OC(F)(F)F)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H2ClF3N2O6S/c7-19(16,17)2-1-3(13)11-5(12(14)15)4(2)18-6(8,9)10/h1H,(H,11,13)
InChIKeyYOGKIOOYZRBKAQ-UHFFFAOYSA-N
XLogP1.11
TPSA119.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 51.11
H-Bond Donors ≤ 51
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

2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbaldehyde
CID 134678369
3-fluoro-5-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969400
2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 134680139
6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 131404456
4-chloro-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969613
2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134661564
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
4-ethyl-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969662
6-(aminomethyl)-2-nitro-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134661463
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
2-fluoro-3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969157

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
The IUPAC name of 2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride (CID 134662841) is 2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
The canonical SMILES for 2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride is O=c1cc(S(=O)(=O)Cl)c(OC(F)(F)F)c([N+](=O)[O-])[nH]1.
What is the InChIKey of 2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
The InChIKey is YOGKIOOYZRBKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2O6S/c7-19(16,17)2-1-3(13)11-5(12(14)15)4(2)18-6(8,9)10/h1H,(H,11,13).
What are the key properties of 2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride has a molecular weight of 322.60 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride is sourced from PubChem (CID 134662841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).