4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C7H4ClF3INO4S — CID 131312152

IUPAC4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCOc1cc(I)c(OC(F)(F)F)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C7H4ClF3INO4S/c1-16-4-2-3(12)5(17-7(9,10)11)6(13-4)18(8,14)15/h2H,1H3
InChIKeyDOBYRFAIEMNUBV-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.52
Rot. Bonds3

About 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride

4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 131312152) has the molecular formula C7H4ClF3INO4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID131312152
Molecular FormulaC7H4ClF3INO4S
Molecular Weight417.53 g/mol
Exact Mass416.85
IUPAC Name4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCOc1cc(I)c(OC(F)(F)F)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C7H4ClF3INO4S/c1-16-4-2-3(12)5(17-7(9,10)11)6(13-4)18(8,14)15/h2H,1H3
InChIKeyDOBYRFAIEMNUBV-UHFFFAOYSA-N
XLogP2.52
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131314313
4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134680057
methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680669
3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131369994
5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131346999
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131371074
4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666974
4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680738
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
CID 118800764
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131369998
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 131312152) is 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is COc1cc(I)c(OC(F)(F)F)c(S(=O)(=O)Cl)n1.
What is the InChIKey of 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is DOBYRFAIEMNUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO4S/c1-16-4-2-3(12)5(17-7(9,10)11)6(13-4)18(8,14)15/h2H,1H3.
What are the key properties of 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 417.53 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 131312152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).