4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane

C13H14Cl2N2O — CID 144941358

IUPAC4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane
SMILESCC.Nc1ccc(Oc2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C11H8Cl2N2O.C2H6/c12-10-5-9(6-11(13)15-10)16-8-3-1-7(14)2-4-8;1-2/h1-6H,14H2;1-2H3
InChIKeyWFJZBEFLCJSYHM-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.79
Rot. Bonds2

About 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane

4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane (PubChem CID 144941358) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane.

Molecular Properties

Compound Name4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane
PubChem CID144941358
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane
SMILESCC.Nc1ccc(Oc2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C11H8Cl2N2O.C2H6/c12-10-5-9(6-11(13)15-10)16-8-3-1-7(14)2-4-8;1-2/h1-6H,14H2;1-2H3
InChIKeyWFJZBEFLCJSYHM-UHFFFAOYSA-N
XLogP4.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane 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-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane?
The IUPAC name of 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane (CID 144941358) is 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane.
What is the SMILES notation for 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane?
The canonical SMILES for 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane is CC.Nc1ccc(Oc2cc(Cl)nc(Cl)c2)cc1.
What is the InChIKey of 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane?
The InChIKey is WFJZBEFLCJSYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O.C2H6/c12-10-5-9(6-11(13)15-10)16-8-3-1-7(14)2-4-8;1-2/h1-6H,14H2;1-2H3.
What are the key properties of 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane?
4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane has a molecular weight of 285.17 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-4-pyridinyl)oxy]aniline;ethane is sourced from PubChem (CID 144941358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).