3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride

C6H3ClF2INO3S — CID 130083037

IUPAC3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(O)cnc(I)c1C(F)F
InChIInChI=1S/C6H3ClF2INO3S/c7-15(13,14)4-2(12)1-11-6(10)3(4)5(8)9/h1,5,12H
InChIKeyHZDUWHNRJFOCSI-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.26
Rot. Bonds2

About 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride

3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride (PubChem CID 130083037) has the molecular formula C6H3ClF2INO3S and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride
PubChem CID130083037
Molecular FormulaC6H3ClF2INO3S
Molecular Weight369.51 g/mol
Exact Mass368.85
IUPAC Name3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(O)cnc(I)c1C(F)F
InChIInChI=1S/C6H3ClF2INO3S/c7-15(13,14)4-2(12)1-11-6(10)3(4)5(8)9/h1,5,12H
InChIKeyHZDUWHNRJFOCSI-UHFFFAOYSA-N
XLogP2.26
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(difluoromethyl)-5-hydroxy-4-iodopyridine-3-sulfonyl chloride
CID 118854704
2-chloro-3-(difluoromethyl)-5-hydroxypyridine-4-sulfonamide
CID 130072896
3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid
CID 130082872
5-hydroxy-2-iodo-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131370169
5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide
CID 130105762
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
CID 130077762
2-(difluoromethyl)-5-hydroxypyridine-4-sulfonyl chloride
CID 118804023
5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130108482
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonyl chloride
CID 130105042
4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 118822917

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride (CID 130083037) is 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride is O=S(=O)(Cl)c1c(O)cnc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride?
The InChIKey is HZDUWHNRJFOCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2INO3S/c7-15(13,14)4-2(12)1-11-6(10)3(4)5(8)9/h1,5,12H.
What are the key properties of 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride?
3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride has a molecular weight of 369.51 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride is sourced from PubChem (CID 130083037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).