6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

C6H2ClF3INO2S — CID 131321610

IUPAC6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(I)c(C(F)(F)F)c1
InChIInChI=1S/C6H2ClF3INO2S/c7-15(13,14)3-1-4(6(8,9)10)5(11)12-2-3/h1-2H
InChIKeyAGLIHCLROZGMDH-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.63
Rot. Bonds1

About 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 131321610) has the molecular formula C6H2ClF3INO2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID131321610
Molecular FormulaC6H2ClF3INO2S
Molecular Weight371.51 g/mol
Exact Mass370.85
IUPAC Name6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(I)c(C(F)(F)F)c1
InChIInChI=1S/C6H2ClF3INO2S/c7-15(13,14)3-1-4(6(8,9)10)5(11)12-2-3/h1-2H
InChIKeyAGLIHCLROZGMDH-UHFFFAOYSA-N
XLogP2.63
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 131321610) is 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnc(I)c(C(F)(F)F)c1.
What is the InChIKey of 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is AGLIHCLROZGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3INO2S/c7-15(13,14)3-1-4(6(8,9)10)5(11)12-2-3/h1-2H.
What are the key properties of 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 371.51 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 131321610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).