About 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine
5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine (PubChem CID 114046402) has the molecular formula C12H10Cl2N2O
and a molecular weight of 269.13 g/mol. Its IUPAC name is 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine.
Molecular Properties
| Compound Name | 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine |
| PubChem CID | 114046402 |
| Molecular Formula | C12H10Cl2N2O |
| Molecular Weight | 269.13 g/mol |
| Exact Mass | 268.02 |
| IUPAC Name | 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine |
| SMILES | Cc1ccc(Cl)cc1Oc1ncc(N)cc1Cl |
| InChI | InChI=1S/C12H10Cl2N2O/c1-7-2-3-8(13)4-11(7)17-12-10(14)5-9(15)6-16-12/h2-6H,15H2,1H3 |
| InChIKey | KECKVUCNBNEGIZ-UHFFFAOYSA-N |
| XLogP | 4.07 |
| TPSA | 48.14 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 269.13 |
| LogP ≤ 5 | 4.07 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine?
The IUPAC name of 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine (CID 114046402) is 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine?
The canonical SMILES for 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine is Cc1ccc(Cl)cc1Oc1ncc(N)cc1Cl.
What is the InChIKey of 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine?
The InChIKey is KECKVUCNBNEGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-2-3-8(13)4-11(7)17-12-10(14)5-9(15)6-16-12/h2-6H,15H2,1H3.
What are the key properties of 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine?
5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine has a molecular weight of 269.13 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine is sourced from PubChem (CID 114046402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).