2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine

C16H9F4N3O — CID 133372663

IUPAC2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine
SMILESFc1nc(F)c(F)c(Nc2cccc(Oc3ccncc3)c2)c1F
InChIInChI=1S/C16H9F4N3O/c17-12-14(13(18)16(20)23-15(12)19)22-9-2-1-3-11(8-9)24-10-4-6-21-7-5-10/h1-8H,(H,22,23)
InChIKeyLENGJRLIUXODJH-UHFFFAOYSA-N
MW335.26 g/mol
LogP4.57
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine

2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine (PubChem CID 133372663) has the molecular formula C16H9F4N3O and a molecular weight of 335.26 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine
PubChem CID133372663
Molecular FormulaC16H9F4N3O
Molecular Weight335.26 g/mol
Exact Mass335.07
IUPAC Name2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine
SMILESFc1nc(F)c(F)c(Nc2cccc(Oc3ccncc3)c2)c1F
InChIInChI=1S/C16H9F4N3O/c17-12-14(13(18)16(20)23-15(12)19)22-9-2-1-3-11(8-9)24-10-4-6-21-7-5-10/h1-8H,(H,22,23)
InChIKeyLENGJRLIUXODJH-UHFFFAOYSA-N
XLogP4.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine 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 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine (CID 133372663) is 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine is Fc1nc(F)c(F)c(Nc2cccc(Oc3ccncc3)c2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine?
The InChIKey is LENGJRLIUXODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3O/c17-12-14(13(18)16(20)23-15(12)19)22-9-2-1-3-11(8-9)24-10-4-6-21-7-5-10/h1-8H,(H,22,23).
What are the key properties of 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine?
2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine has a molecular weight of 335.26 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine is sourced from PubChem (CID 133372663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).