4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline

C11H7Cl2FN2O — CID 18402945

IUPAC4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline
SMILESNc1cc(Oc2cccc(Cl)n2)c(Cl)cc1F
InChIInChI=1S/C11H7Cl2FN2O/c12-6-4-7(14)8(15)5-9(6)17-11-3-1-2-10(13)16-11/h1-5H,15H2
InChIKeyUNJQFRYMMVUVGV-UHFFFAOYSA-N
MW273.09 g/mol
LogP3.90
Rot. Bonds2

About 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline

4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline (PubChem CID 18402945) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline.

Molecular Properties

Compound Name4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline
PubChem CID18402945
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline
SMILESNc1cc(Oc2cccc(Cl)n2)c(Cl)cc1F
InChIInChI=1S/C11H7Cl2FN2O/c12-6-4-7(14)8(15)5-9(6)17-11-3-1-2-10(13)16-11/h1-5H,15H2
InChIKeyUNJQFRYMMVUVGV-UHFFFAOYSA-N
XLogP3.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline 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 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline?
The IUPAC name of 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline (CID 18402945) is 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline.
What is the SMILES notation for 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline?
The canonical SMILES for 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline is Nc1cc(Oc2cccc(Cl)n2)c(Cl)cc1F.
What is the InChIKey of 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline?
The InChIKey is UNJQFRYMMVUVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-6-4-7(14)8(15)5-9(6)17-11-3-1-2-10(13)16-11/h1-5H,15H2.
What are the key properties of 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline?
4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline has a molecular weight of 273.09 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline is sourced from PubChem (CID 18402945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).