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

C6H4F3N3O6S — CID 134664491

IUPAC5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(O)c(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C6H4F3N3O6S/c7-6(8,9)18-5-2(13)1-3(19(10,16)17)4(11-5)12(14)15/h1,13H,(H2,10,16,17)
InChIKeyYSJSCQBUPGDQNB-UHFFFAOYSA-N
MW303.17 g/mol
LogP0.24
Rot. Bonds3

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

5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide (PubChem CID 134664491) has the molecular formula C6H4F3N3O6S and a molecular weight of 303.17 g/mol. Its IUPAC name is 5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
PubChem CID134664491
Molecular FormulaC6H4F3N3O6S
Molecular Weight303.17 g/mol
Exact Mass302.98
IUPAC Name5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(O)c(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C6H4F3N3O6S/c7-6(8,9)18-5-2(13)1-3(19(10,16)17)4(11-5)12(14)15/h1,13H,(H2,10,16,17)
InChIKeyYSJSCQBUPGDQNB-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-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 134669805
5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134666720
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420
5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680784
5-hydroxy-3-methoxy-6-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659583
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide?
The IUPAC name of 5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide (CID 134664491) is 5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide?
The canonical SMILES for 5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide is NS(=O)(=O)c1cc(O)c(OC(F)(F)F)nc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide?
The InChIKey is YSJSCQBUPGDQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O6S/c7-6(8,9)18-5-2(13)1-3(19(10,16)17)4(11-5)12(14)15/h1,13H,(H2,10,16,17).
What are the key properties of 5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide?
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-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-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 134664491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).