3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline

C11H8Cl2N2O — CID 21391500

IUPAC3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2cccc(Cl)n2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O/c12-8-6-7(14)4-5-9(8)16-11-3-1-2-10(13)15-11/h1-6H,14H2
InChIKeyKQGUOMLQTOWFFN-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.76
Rot. Bonds2

About 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline

3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline (PubChem CID 21391500) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline
PubChem CID21391500
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2cccc(Cl)n2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O/c12-8-6-7(14)4-5-9(8)16-11-3-1-2-10(13)15-11/h1-6H,14H2
InChIKeyKQGUOMLQTOWFFN-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.76
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 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline 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 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline?
The IUPAC name of 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline (CID 21391500) is 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline?
The canonical SMILES for 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline is Nc1ccc(Oc2cccc(Cl)n2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline?
The InChIKey is KQGUOMLQTOWFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-8-6-7(14)4-5-9(8)16-11-3-1-2-10(13)15-11/h1-6H,14H2.
What are the key properties of 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline?
3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline has a molecular weight of 255.10 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 21391500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).