About 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine (PubChem CID 115474542) has the molecular formula C10H7Cl2N3O
and a molecular weight of 256.09 g/mol. Its IUPAC name is 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine.
Molecular Properties
| Compound Name | 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine |
| PubChem CID | 115474542 |
| Molecular Formula | C10H7Cl2N3O |
| Molecular Weight | 256.09 g/mol |
| Exact Mass | 255.00 |
| IUPAC Name | 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine |
| SMILES | Nc1ccc(Cl)nc1Oc1cncc(Cl)c1 |
| InChI | InChI=1S/C10H7Cl2N3O/c11-6-3-7(5-14-4-6)16-10-8(13)1-2-9(12)15-10/h1-5H,13H2 |
| InChIKey | NFEPGIFCULHNOL-UHFFFAOYSA-N |
| XLogP | 3.16 |
| TPSA | 61.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 256.09 |
| LogP ≤ 5 | 3.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine?
The IUPAC name of 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine (CID 115474542) is 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine is Nc1ccc(Cl)nc1Oc1cncc(Cl)c1.
What is the InChIKey of 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine?
The InChIKey is NFEPGIFCULHNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-6-3-7(5-14-4-6)16-10-8(13)1-2-9(12)15-10/h1-5H,13H2.
What are the key properties of 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine?
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine has a molecular weight of 256.09 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine is sourced from PubChem (CID 115474542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).