5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride

C6H2ClF3INO2S — CID 131321598

IUPAC5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cncc(I)c1C(F)(F)F
InChIInChI=1S/C6H2ClF3INO2S/c7-15(13,14)4-2-12-1-3(11)5(4)6(8,9)10/h1-2H
InChIKeyYPOPNRLUSWWGHN-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.63
Rot. Bonds1

About 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride

5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 131321598) has the molecular formula C6H2ClF3INO2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID131321598
Molecular FormulaC6H2ClF3INO2S
Molecular Weight371.51 g/mol
Exact Mass370.85
IUPAC Name5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cncc(I)c1C(F)(F)F
InChIInChI=1S/C6H2ClF3INO2S/c7-15(13,14)4-2-12-1-3(11)5(4)6(8,9)10/h1-2H
InChIKeyYPOPNRLUSWWGHN-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134683104
5-chloro-4-fluoropyridine-3-sulfonyl chloride
CID 130775425
2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 57361942
2-[5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130849546
2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 170998343
ethyl 2-[5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096650
2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride
CID 56604725
2-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 118832290
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131371074
6-iodo-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 131321610
4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 118805308

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 131321598) is 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cncc(I)c1C(F)(F)F.
What is the InChIKey of 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is YPOPNRLUSWWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3INO2S/c7-15(13,14)4-2-12-1-3(11)5(4)6(8,9)10/h1-2H.
What are the key properties of 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride?
5-iodo-4-(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 5-iodo-4-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 131321598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).