2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine

C13H10F3NO2 — CID 4109386

IUPAC2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine
SMILESCOc1nc(F)c(F)c(Oc2ccc(C)cc2)c1F
InChIInChI=1S/C13H10F3NO2/c1-7-3-5-8(6-4-7)19-11-9(14)12(16)17-13(18-2)10(11)15/h3-6H,1-2H3
InChIKeyJDSLBXOZAQPOLW-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.61
Rot. Bonds3

About 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine

2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine (PubChem CID 4109386) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine.

Molecular Properties

Compound Name2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine
PubChem CID4109386
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine
SMILESCOc1nc(F)c(F)c(Oc2ccc(C)cc2)c1F
InChIInChI=1S/C13H10F3NO2/c1-7-3-5-8(6-4-7)19-11-9(14)12(16)17-13(18-2)10(11)15/h3-6H,1-2H3
InChIKeyJDSLBXOZAQPOLW-UHFFFAOYSA-N
XLogP3.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine?
The IUPAC name of 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine (CID 4109386) is 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine.
What is the SMILES notation for 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine?
The canonical SMILES for 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine is COc1nc(F)c(F)c(Oc2ccc(C)cc2)c1F.
What is the InChIKey of 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine?
The InChIKey is JDSLBXOZAQPOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-7-3-5-8(6-4-7)19-11-9(14)12(16)17-13(18-2)10(11)15/h3-6H,1-2H3.
What are the key properties of 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine?
2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine has a molecular weight of 269.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine is sourced from PubChem (CID 4109386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).