6-ethylsulfonyl-4-iodopyridin-3-ol

C7H8INO3S — CID 118022404

IUPAC6-ethylsulfonyl-4-iodopyridin-3-ol
SMILESCCS(=O)(=O)c1cc(I)c(O)cn1
InChIInChI=1S/C7H8INO3S/c1-2-13(11,12)7-3-5(8)6(10)4-9-7/h3-4,10H,2H2,1H3
InChIKeyJCCGVAQWOSUYBO-UHFFFAOYSA-N
MW313.12 g/mol
LogP1.19
Rot. Bonds2

About 6-ethylsulfonyl-4-iodopyridin-3-ol

6-ethylsulfonyl-4-iodopyridin-3-ol (PubChem CID 118022404) has the molecular formula C7H8INO3S and a molecular weight of 313.12 g/mol. Its IUPAC name is 6-ethylsulfonyl-4-iodopyridin-3-ol.

Molecular Properties

Compound Name6-ethylsulfonyl-4-iodopyridin-3-ol
PubChem CID118022404
Molecular FormulaC7H8INO3S
Molecular Weight313.12 g/mol
Exact Mass312.93
IUPAC Name6-ethylsulfonyl-4-iodopyridin-3-ol
SMILESCCS(=O)(=O)c1cc(I)c(O)cn1
InChIInChI=1S/C7H8INO3S/c1-2-13(11,12)7-3-5(8)6(10)4-9-7/h3-4,10H,2H2,1H3
InChIKeyJCCGVAQWOSUYBO-UHFFFAOYSA-N
XLogP1.19
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-4-iodopyridin-3-ol?
The IUPAC name of 6-ethylsulfonyl-4-iodopyridin-3-ol (CID 118022404) is 6-ethylsulfonyl-4-iodopyridin-3-ol.
What is the SMILES notation for 6-ethylsulfonyl-4-iodopyridin-3-ol?
The canonical SMILES for 6-ethylsulfonyl-4-iodopyridin-3-ol is CCS(=O)(=O)c1cc(I)c(O)cn1.
What is the InChIKey of 6-ethylsulfonyl-4-iodopyridin-3-ol?
The InChIKey is JCCGVAQWOSUYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO3S/c1-2-13(11,12)7-3-5(8)6(10)4-9-7/h3-4,10H,2H2,1H3.
What are the key properties of 6-ethylsulfonyl-4-iodopyridin-3-ol?
6-ethylsulfonyl-4-iodopyridin-3-ol has a molecular weight of 313.12 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-4-iodopyridin-3-ol is sourced from PubChem (CID 118022404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).