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

C6HClF3IN2O5S — CID 134676205

IUPAC5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1c(S(=O)(=O)Cl)cnc(OC(F)(F)F)c1I
InChIInChI=1S/C6HClF3IN2O5S/c7-19(16,17)2-1-12-5(18-6(8,9)10)3(11)4(2)13(14)15/h1H
InChIKeyRGSSJLRSCBWTMI-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.42
Rot. Bonds3

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

5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 134676205) has the molecular formula C6HClF3IN2O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID134676205
Molecular FormulaC6HClF3IN2O5S
Molecular Weight432.50 g/mol
Exact Mass431.83
IUPAC Name5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1c(S(=O)(=O)Cl)cnc(OC(F)(F)F)c1I
InChIInChI=1S/C6HClF3IN2O5S/c7-19(16,17)2-1-12-5(18-6(8,9)10)3(11)4(2)13(14)15/h1H
InChIKeyRGSSJLRSCBWTMI-UHFFFAOYSA-N
XLogP2.42
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride
CID 118815364
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134682371
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822883
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134671215
4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
CID 134678852
[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134676231
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 134676205) is 5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is O=[N+]([O-])c1c(S(=O)(=O)Cl)cnc(OC(F)(F)F)c1I.
What is the InChIKey of 5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is RGSSJLRSCBWTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF3IN2O5S/c7-19(16,17)2-1-12-5(18-6(8,9)10)3(11)4(2)13(14)15/h1H.
What are the key properties of 5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 432.50 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134676205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).