3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine

C11H14INO3S — CID 118021993

IUPAC3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(I)n1
InChIInChI=1S/C11H14INO3S/c1-2-17(14,15)10-6-5-9(11(12)13-10)16-7-8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyYMCQUFCUWWHSJM-UHFFFAOYSA-N
MW367.21 g/mol
LogP2.27
Rot. Bonds5

About 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine

3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine (PubChem CID 118021993) has the molecular formula C11H14INO3S and a molecular weight of 367.21 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine
PubChem CID118021993
Molecular FormulaC11H14INO3S
Molecular Weight367.21 g/mol
Exact Mass366.97
IUPAC Name3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(I)n1
InChIInChI=1S/C11H14INO3S/c1-2-17(14,15)10-6-5-9(11(12)13-10)16-7-8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyYMCQUFCUWWHSJM-UHFFFAOYSA-N
XLogP2.27
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine?
The IUPAC name of 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine (CID 118021993) is 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine?
The canonical SMILES for 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine is CCS(=O)(=O)c1ccc(OCC2CC2)c(I)n1.
What is the InChIKey of 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine?
The InChIKey is YMCQUFCUWWHSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3S/c1-2-17(14,15)10-6-5-9(11(12)13-10)16-7-8-3-4-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine?
3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine has a molecular weight of 367.21 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-6-ethylsulfonyl-2-iodopyridine is sourced from PubChem (CID 118021993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).