2-(2,4-dimethoxyphenoxy)-6-fluoropyridine

C13H12FNO3 — CID 69095339

IUPAC2-(2,4-dimethoxyphenoxy)-6-fluoropyridine
SMILESCOc1ccc(Oc2cccc(F)n2)c(OC)c1
InChIInChI=1S/C13H12FNO3/c1-16-9-6-7-10(11(8-9)17-2)18-13-5-3-4-12(14)15-13/h3-8H,1-2H3
InChIKeyXUSRUIJZQUREAH-UHFFFAOYSA-N
MW249.24 g/mol
LogP3.03
Rot. Bonds4

About 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine

2-(2,4-dimethoxyphenoxy)-6-fluoropyridine (PubChem CID 69095339) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenoxy)-6-fluoropyridine
PubChem CID69095339
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name2-(2,4-dimethoxyphenoxy)-6-fluoropyridine
SMILESCOc1ccc(Oc2cccc(F)n2)c(OC)c1
InChIInChI=1S/C13H12FNO3/c1-16-9-6-7-10(11(8-9)17-2)18-13-5-3-4-12(14)15-13/h3-8H,1-2H3
InChIKeyXUSRUIJZQUREAH-UHFFFAOYSA-N
XLogP3.03
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine?
The IUPAC name of 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine (CID 69095339) is 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine.
What is the SMILES notation for 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine?
The canonical SMILES for 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine is COc1ccc(Oc2cccc(F)n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine?
The InChIKey is XUSRUIJZQUREAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-16-9-6-7-10(11(8-9)17-2)18-13-5-3-4-12(14)15-13/h3-8H,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine?
2-(2,4-dimethoxyphenoxy)-6-fluoropyridine has a molecular weight of 249.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenoxy)-6-fluoropyridine is sourced from PubChem (CID 69095339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).