5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide

C6H4F3N3O6S — CID 134666720

IUPAC5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc([N+](=O)[O-])c(O)cc1OC(F)(F)F
InChIInChI=1S/C6H4F3N3O6S/c7-6(8,9)18-3-1-2(13)4(12(14)15)11-5(3)19(10,16)17/h1,13H,(H2,10,16,17)
InChIKeyFEKBYAGYQZTIPR-UHFFFAOYSA-N
MW303.17 g/mol
LogP0.24
Rot. Bonds3

About 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide

5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide (PubChem CID 134666720) has the molecular formula C6H4F3N3O6S and a molecular weight of 303.17 g/mol. Its IUPAC name is 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
PubChem CID134666720
Molecular FormulaC6H4F3N3O6S
Molecular Weight303.17 g/mol
Exact Mass302.98
IUPAC Name5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc([N+](=O)[O-])c(O)cc1OC(F)(F)F
InChIInChI=1S/C6H4F3N3O6S/c7-6(8,9)18-3-1-2(13)4(12(14)15)11-5(3)19(10,16)17/h1,13H,(H2,10,16,17)
InChIKeyFEKBYAGYQZTIPR-UHFFFAOYSA-N
XLogP0.24
TPSA145.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134664304
6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 134669805
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134664491
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
5-hydroxy-3-methoxy-6-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659583
6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134676179
3-hydroxy-6-methoxy-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659587
6-amino-5-cyano-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 133094791
2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
CID 134671424
6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 119021551
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The IUPAC name of 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide (CID 134666720) is 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide is NS(=O)(=O)c1nc([N+](=O)[O-])c(O)cc1OC(F)(F)F.
What is the InChIKey of 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The InChIKey is FEKBYAGYQZTIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O6S/c7-6(8,9)18-3-1-2(13)4(12(14)15)11-5(3)19(10,16)17/h1,13H,(H2,10,16,17).
What are the key properties of 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide?
5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide has a molecular weight of 303.17 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 134666720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).