3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine

C8H4F6INO2 — CID 134666970

IUPAC3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)cnc(OC(F)(F)F)c1I
InChIInChI=1S/C8H4F6INO2/c1-17-5-3(7(9,10)11)2-16-6(4(5)15)18-8(12,13)14/h2H,1H3
InChIKeyYSJYSXHCIIIMDH-UHFFFAOYSA-N
MW387.02 g/mol
LogP3.61
Rot. Bonds2

About 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine

3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine (PubChem CID 134666970) has the molecular formula C8H4F6INO2 and a molecular weight of 387.02 g/mol. Its IUPAC name is 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
PubChem CID134666970
Molecular FormulaC8H4F6INO2
Molecular Weight387.02 g/mol
Exact Mass386.92
IUPAC Name3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)cnc(OC(F)(F)F)c1I
InChIInChI=1S/C8H4F6INO2/c1-17-5-3(7(9,10)11)2-16-6(4(5)15)18-8(12,13)14/h2H,1H3
InChIKeyYSJYSXHCIIIMDH-UHFFFAOYSA-N
XLogP3.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.02
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine 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-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine (CID 134666970) is 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine is COc1c(C(F)(F)F)cnc(OC(F)(F)F)c1I.
What is the InChIKey of 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is YSJYSXHCIIIMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO2/c1-17-5-3(7(9,10)11)2-16-6(4(5)15)18-8(12,13)14/h2H,1H3.
What are the key properties of 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 387.02 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134666970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).