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

C7H4ClF3INO4S — CID 131371074

IUPAC6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)cnc(I)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO4S/c1-16-4-3(18(8,14)15)2-13-6(12)5(4)17-7(9,10)11/h2H,1H3
InChIKeyKBQLFBBSENKOOB-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.52
Rot. Bonds3

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

6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 131371074) has the molecular formula C7H4ClF3INO4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID131371074
Molecular FormulaC7H4ClF3INO4S
Molecular Weight417.53 g/mol
Exact Mass416.85
IUPAC Name6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)cnc(I)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO4S/c1-16-4-3(18(8,14)15)2-13-6(12)5(4)17-7(9,10)11/h2H,1H3
InChIKeyKBQLFBBSENKOOB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
ethyl 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675689
5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131370169
4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822045
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
6-iodo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131333881
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131312152
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131369998
4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131319653
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546

Frequently Asked Questions

What is the IUPAC name of 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 131371074) is 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride is COc1c(S(=O)(=O)Cl)cnc(I)c1OC(F)(F)F.
What is the InChIKey of 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is KBQLFBBSENKOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO4S/c1-16-4-3(18(8,14)15)2-13-6(12)5(4)17-7(9,10)11/h2H,1H3.
What are the key properties of 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-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 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 131371074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).