5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride

C6H2ClF3INO4S — CID 131370169

IUPAC5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(I)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C6H2ClF3INO4S/c7-17(14,15)4-3(16-6(8,9)10)2(13)1-12-5(4)11/h1,13H
InChIKeyQRRITXKDUWJESL-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.22
Rot. Bonds2

About 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride

5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 131370169) has the molecular formula C6H2ClF3INO4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID131370169
Molecular FormulaC6H2ClF3INO4S
Molecular Weight403.50 g/mol
Exact Mass402.84
IUPAC Name5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(I)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C6H2ClF3INO4S/c7-17(14,15)4-3(16-6(8,9)10)2(13)1-12-5(4)11/h1,13H
InChIKeyQRRITXKDUWJESL-UHFFFAOYSA-N
XLogP2.22
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111106
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131369998
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131371074
methyl 2-[5-hydroxy-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659697
3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride
CID 130083037
5-fluoro-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131492748
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
2-(difluoromethyl)-5-hydroxy-4-iodopyridine-3-sulfonyl chloride
CID 118854704
methyl 5-hydroxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680560
4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131319653
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol
CID 118995388

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 131370169) is 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1c(I)ncc(O)c1OC(F)(F)F.
What is the InChIKey of 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is QRRITXKDUWJESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3INO4S/c7-17(14,15)4-3(16-6(8,9)10)2(13)1-12-5(4)11/h1,13H.
What are the key properties of 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 403.50 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 131370169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).