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

C6H3F3IN3O5S — CID 134660949

IUPAC6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc(I)c(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H3F3IN3O5S/c7-6(8,9)18-3-1-2(13(14)15)5(12-4(3)10)19(11,16)17/h1H,(H2,11,16,17)
InChIKeyUOTUIFGJUFPVMP-UHFFFAOYSA-N
MW413.07 g/mol
LogP1.14
Rot. Bonds3

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

6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide (PubChem CID 134660949) has the molecular formula C6H3F3IN3O5S and a molecular weight of 413.07 g/mol. Its IUPAC name is 6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
PubChem CID134660949
Molecular FormulaC6H3F3IN3O5S
Molecular Weight413.07 g/mol
Exact Mass412.88
IUPAC Name6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nc(I)c(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H3F3IN3O5S/c7-6(8,9)18-3-1-2(13(14)15)5(12-4(3)10)19(11,16)17/h1H,(H2,11,16,17)
InChIKeyUOTUIFGJUFPVMP-UHFFFAOYSA-N
XLogP1.14
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine
CID 134660726
5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134666720
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666764
5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663235
6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 134669805
3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134670336
2-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134665826
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375
3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine
CID 134678900

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide?
The IUPAC name of 6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide (CID 134660949) is 6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide is NS(=O)(=O)c1nc(I)c(OC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide?
The InChIKey is UOTUIFGJUFPVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3IN3O5S/c7-6(8,9)18-3-1-2(13(14)15)5(12-4(3)10)19(11,16)17/h1H,(H2,11,16,17).
What are the key properties of 6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide?
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide has a molecular weight of 413.07 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 134660949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).