5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C6HClF3IN2O5S — CID 134663235

IUPAC5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(I)c(OC(F)(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C6HClF3IN2O5S/c7-19(16,17)5-3(13(14)15)1-2(11)4(12-5)18-6(8,9)10/h1H
InChIKeyZHIVYTSXTHFTPJ-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.42
Rot. Bonds3

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

5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 134663235) has the molecular formula C6HClF3IN2O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID134663235
Molecular FormulaC6HClF3IN2O5S
Molecular Weight432.50 g/mol
Exact Mass431.83
IUPAC Name5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(I)c(OC(F)(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C6HClF3IN2O5S/c7-19(16,17)5-3(13(14)15)1-2(11)4(12-5)18-6(8,9)10/h1H
InChIKeyZHIVYTSXTHFTPJ-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

3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131369994
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
3-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679774
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
ethyl 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663365
3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375
4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134680057
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 134663235) is 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride is O=[N+]([O-])c1cc(I)c(OC(F)(F)F)nc1S(=O)(=O)Cl.
What is the InChIKey of 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is ZHIVYTSXTHFTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF3IN2O5S/c7-19(16,17)5-3(13(14)15)1-2(11)4(12-5)18-6(8,9)10/h1H.
What are the key properties of 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-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-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 134663235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).