4-(4-amino-3-chlorophenoxy)pyridin-2-amine

C11H10ClN3O — CID 22936798

IUPAC4-(4-amino-3-chlorophenoxy)pyridin-2-amine
SMILESNc1cc(Oc2ccc(N)c(Cl)c2)ccn1
InChIInChI=1S/C11H10ClN3O/c12-9-5-7(1-2-10(9)13)16-8-3-4-15-11(14)6-8/h1-6H,13H2,(H2,14,15)
InChIKeyZLMCAXKQEWDOLH-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.69
Rot. Bonds2

About 4-(4-amino-3-chlorophenoxy)pyridin-2-amine

4-(4-amino-3-chlorophenoxy)pyridin-2-amine (PubChem CID 22936798) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenoxy)pyridin-2-amine
PubChem CID22936798
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-(4-amino-3-chlorophenoxy)pyridin-2-amine
SMILESNc1cc(Oc2ccc(N)c(Cl)c2)ccn1
InChIInChI=1S/C11H10ClN3O/c12-9-5-7(1-2-10(9)13)16-8-3-4-15-11(14)6-8/h1-6H,13H2,(H2,14,15)
InChIKeyZLMCAXKQEWDOLH-UHFFFAOYSA-N
XLogP2.69
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-3-chlorophenoxy)pyridin-2-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 4-(4-amino-3-chlorophenoxy)pyridin-2-amine?
The IUPAC name of 4-(4-amino-3-chlorophenoxy)pyridin-2-amine (CID 22936798) is 4-(4-amino-3-chlorophenoxy)pyridin-2-amine.
What is the SMILES notation for 4-(4-amino-3-chlorophenoxy)pyridin-2-amine?
The canonical SMILES for 4-(4-amino-3-chlorophenoxy)pyridin-2-amine is Nc1cc(Oc2ccc(N)c(Cl)c2)ccn1.
What is the InChIKey of 4-(4-amino-3-chlorophenoxy)pyridin-2-amine?
The InChIKey is ZLMCAXKQEWDOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-5-7(1-2-10(9)13)16-8-3-4-15-11(14)6-8/h1-6H,13H2,(H2,14,15).
What are the key properties of 4-(4-amino-3-chlorophenoxy)pyridin-2-amine?
4-(4-amino-3-chlorophenoxy)pyridin-2-amine has a molecular weight of 235.67 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenoxy)pyridin-2-amine is sourced from PubChem (CID 22936798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).