3-iodo-4-methoxypyridine

C6H6INO — CID 902131

IUPAC3-iodo-4-methoxypyridine
SMILESCOc1ccncc1I
InChIInChI=1S/C6H6INO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
InChIKeyWZAPSURIRLYQEJ-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.69
Rot. Bonds1

About 3-iodo-4-methoxypyridine

3-iodo-4-methoxypyridine (PubChem CID 902131) has the molecular formula C6H6INO and a molecular weight of 235.02 g/mol. Its IUPAC name is 3-iodo-4-methoxypyridine.

Molecular Properties

Compound Name3-iodo-4-methoxypyridine
PubChem CID902131
Molecular FormulaC6H6INO
Molecular Weight235.02 g/mol
Exact Mass234.95
IUPAC Name3-iodo-4-methoxypyridine
SMILESCOc1ccncc1I
InChIInChI=1S/C6H6INO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
InChIKeyWZAPSURIRLYQEJ-UHFFFAOYSA-N
XLogP1.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-iodo-4-methoxypyridine 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-iodo-4-methoxypyridine?
The IUPAC name of 3-iodo-4-methoxypyridine (CID 902131) is 3-iodo-4-methoxypyridine.
What is the SMILES notation for 3-iodo-4-methoxypyridine?
The canonical SMILES for 3-iodo-4-methoxypyridine is COc1ccncc1I.
What is the InChIKey of 3-iodo-4-methoxypyridine?
The InChIKey is WZAPSURIRLYQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3.
What are the key properties of 3-iodo-4-methoxypyridine?
3-iodo-4-methoxypyridine has a molecular weight of 235.02 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxypyridine is sourced from PubChem (CID 902131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).