2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine

C24H16F3NO3 — CID 12833257

IUPAC2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine
SMILESFc1cccc(Oc2cccc(C(Oc3cccc(F)c3)Oc3cccc(F)c3)n2)c1
InChIInChI=1S/C24H16F3NO3/c25-16-5-1-8-19(13-16)29-23-12-4-11-22(28-23)24(30-20-9-2-6-17(26)14-20)31-21-10-3-7-18(27)15-21/h1-15,24H
InChIKeyYQAAGLRKVFRULQ-UHFFFAOYSA-N
MW423.39 g/mol
LogP6.45
Rot. Bonds7

About 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine

2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine (PubChem CID 12833257) has the molecular formula C24H16F3NO3 and a molecular weight of 423.39 g/mol. Its IUPAC name is 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine.

Molecular Properties

Compound Name2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine
PubChem CID12833257
Molecular FormulaC24H16F3NO3
Molecular Weight423.39 g/mol
Exact Mass423.11
IUPAC Name2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine
SMILESFc1cccc(Oc2cccc(C(Oc3cccc(F)c3)Oc3cccc(F)c3)n2)c1
InChIInChI=1S/C24H16F3NO3/c25-16-5-1-8-19(13-16)29-23-12-4-11-22(28-23)24(30-20-9-2-6-17(26)14-20)31-21-10-3-7-18(27)15-21/h1-15,24H
InChIKeyYQAAGLRKVFRULQ-UHFFFAOYSA-N
XLogP6.45
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine?
The IUPAC name of 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine (CID 12833257) is 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine.
What is the SMILES notation for 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine?
The canonical SMILES for 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine is Fc1cccc(Oc2cccc(C(Oc3cccc(F)c3)Oc3cccc(F)c3)n2)c1.
What is the InChIKey of 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine?
The InChIKey is YQAAGLRKVFRULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO3/c25-16-5-1-8-19(13-16)29-23-12-4-11-22(28-23)24(30-20-9-2-6-17(26)14-20)31-21-10-3-7-18(27)15-21/h1-15,24H.
What are the key properties of 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine?
2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine has a molecular weight of 423.39 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-fluorophenoxy)methyl]-6-(3-fluorophenoxy)pyridine is sourced from PubChem (CID 12833257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).