About 6-(3-methoxyphenoxy)pyridin-3-amine
6-(3-methoxyphenoxy)pyridin-3-amine (PubChem CID 806744) has the molecular formula C12H12N2O2
and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-(3-methoxyphenoxy)pyridin-3-amine.
Molecular Properties
| Compound Name | 6-(3-methoxyphenoxy)pyridin-3-amine |
| PubChem CID | 806744 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.24 g/mol |
| Exact Mass | 216.09 |
| IUPAC Name | 6-(3-methoxyphenoxy)pyridin-3-amine |
| SMILES | COc1cccc(Oc2ccc(N)cn2)c1 |
| InChI | InChI=1S/C12H12N2O2/c1-15-10-3-2-4-11(7-10)16-12-6-5-9(13)8-14-12/h2-8H,13H2,1H3 |
| InChIKey | MZXBOWPVJDFSKP-UHFFFAOYSA-N |
| XLogP | 2.46 |
| TPSA | 57.37 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 216.24 |
| LogP ≤ 5 | 2.46 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(3-methoxyphenoxy)pyridin-3-amine?
The IUPAC name of 6-(3-methoxyphenoxy)pyridin-3-amine (CID 806744) is 6-(3-methoxyphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(3-methoxyphenoxy)pyridin-3-amine?
The canonical SMILES for 6-(3-methoxyphenoxy)pyridin-3-amine is COc1cccc(Oc2ccc(N)cn2)c1.
What is the InChIKey of 6-(3-methoxyphenoxy)pyridin-3-amine?
The InChIKey is MZXBOWPVJDFSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-15-10-3-2-4-11(7-10)16-12-6-5-9(13)8-14-12/h2-8H,13H2,1H3.
What are the key properties of 6-(3-methoxyphenoxy)pyridin-3-amine?
6-(3-methoxyphenoxy)pyridin-3-amine has a molecular weight of 216.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenoxy)pyridin-3-amine is sourced from PubChem (CID 806744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).