5-iodo-2-(methylsulfonylmethyl)pyridine

C7H8INO2S — CID 154468354

IUPAC5-iodo-2-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ccc(I)cn1
InChIInChI=1S/C7H8INO2S/c1-12(10,11)5-7-3-2-6(8)4-9-7/h2-4H,5H2,1H3
InChIKeyMWYIVBHZYHDBJO-UHFFFAOYSA-N
MW297.12 g/mol
LogP1.23
Rot. Bonds2

About 5-iodo-2-(methylsulfonylmethyl)pyridine

5-iodo-2-(methylsulfonylmethyl)pyridine (PubChem CID 154468354) has the molecular formula C7H8INO2S and a molecular weight of 297.12 g/mol. Its IUPAC name is 5-iodo-2-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name5-iodo-2-(methylsulfonylmethyl)pyridine
PubChem CID154468354
Molecular FormulaC7H8INO2S
Molecular Weight297.12 g/mol
Exact Mass296.93
IUPAC Name5-iodo-2-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ccc(I)cn1
InChIInChI=1S/C7H8INO2S/c1-12(10,11)5-7-3-2-6(8)4-9-7/h2-4H,5H2,1H3
InChIKeyMWYIVBHZYHDBJO-UHFFFAOYSA-N
XLogP1.23
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(methylsulfonylmethyl)pyridine?
The IUPAC name of 5-iodo-2-(methylsulfonylmethyl)pyridine (CID 154468354) is 5-iodo-2-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for 5-iodo-2-(methylsulfonylmethyl)pyridine?
The canonical SMILES for 5-iodo-2-(methylsulfonylmethyl)pyridine is CS(=O)(=O)Cc1ccc(I)cn1.
What is the InChIKey of 5-iodo-2-(methylsulfonylmethyl)pyridine?
The InChIKey is MWYIVBHZYHDBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2S/c1-12(10,11)5-7-3-2-6(8)4-9-7/h2-4H,5H2,1H3.
What are the key properties of 5-iodo-2-(methylsulfonylmethyl)pyridine?
5-iodo-2-(methylsulfonylmethyl)pyridine has a molecular weight of 297.12 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 154468354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).