4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine

C8H10INOS — CID 169098887

IUPAC4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine
SMILESCOc1cc(I)c(CSC)cn1
InChIInChI=1S/C8H10INOS/c1-11-8-3-7(9)6(4-10-8)5-12-2/h3-4H,5H2,1-2H3
InChIKeyZIALOBMPVDITJU-UHFFFAOYSA-N
MW295.15 g/mol
LogP2.56
Rot. Bonds3

About 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine

4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine (PubChem CID 169098887) has the molecular formula C8H10INOS and a molecular weight of 295.15 g/mol. Its IUPAC name is 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine
PubChem CID169098887
Molecular FormulaC8H10INOS
Molecular Weight295.15 g/mol
Exact Mass294.95
IUPAC Name4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine
SMILESCOc1cc(I)c(CSC)cn1
InChIInChI=1S/C8H10INOS/c1-11-8-3-7(9)6(4-10-8)5-12-2/h3-4H,5H2,1-2H3
InChIKeyZIALOBMPVDITJU-UHFFFAOYSA-N
XLogP2.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-iodo-2-methoxy-5-(methoxymethoxy)pyridine
CID 12027785
4-chloro-5-iodo-2-methoxypyridine
CID 58204595
5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine
CID 150903001
5-fluoro-2-methoxy-4-methylsulfanylpyridine
CID 147316298
3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
CID 53412708
[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 122198441
2-(6-methoxy-4-methyl-3-pyridinyl)-N,N-dimethylethanamine
CID 139579759
2-(5-bromo-2-methoxy-4-pyridinyl)acetonitrile
CID 84791196
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
(6-methoxy-4-phenyl-3-pyridinyl)methanol
CID 131571511
2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
4-iodo-2-(trideuteriomethoxy)-5-(trifluoromethyl)pyridine
CID 169442500

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine?
The IUPAC name of 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine (CID 169098887) is 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine?
The canonical SMILES for 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine is COc1cc(I)c(CSC)cn1.
What is the InChIKey of 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine?
The InChIKey is ZIALOBMPVDITJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INOS/c1-11-8-3-7(9)6(4-10-8)5-12-2/h3-4H,5H2,1-2H3.
What are the key properties of 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine?
4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine has a molecular weight of 295.15 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 169098887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).