About 6-(2-chlorophenoxy)-4-methylpyridin-3-amine
6-(2-chlorophenoxy)-4-methylpyridin-3-amine (PubChem CID 79020774) has the molecular formula C12H11ClN2O
and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)-4-methylpyridin-3-amine.
Molecular Properties
| Compound Name | 6-(2-chlorophenoxy)-4-methylpyridin-3-amine |
| PubChem CID | 79020774 |
| Molecular Formula | C12H11ClN2O |
| Molecular Weight | 234.69 g/mol |
| Exact Mass | 234.06 |
| IUPAC Name | 6-(2-chlorophenoxy)-4-methylpyridin-3-amine |
| SMILES | Cc1cc(Oc2ccccc2Cl)ncc1N |
| InChI | InChI=1S/C12H11ClN2O/c1-8-6-12(15-7-10(8)14)16-11-5-3-2-4-9(11)13/h2-7H,14H2,1H3 |
| InChIKey | UNFCZEFLKMSMAL-UHFFFAOYSA-N |
| XLogP | 3.42 |
| TPSA | 48.14 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 234.69 |
| LogP ≤ 5 | 3.42 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 6-(2-chlorophenoxy)-4-methylpyridin-3-amine?
The IUPAC name of 6-(2-chlorophenoxy)-4-methylpyridin-3-amine (CID 79020774) is 6-(2-chlorophenoxy)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(2-chlorophenoxy)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(2-chlorophenoxy)-4-methylpyridin-3-amine is Cc1cc(Oc2ccccc2Cl)ncc1N.
What is the InChIKey of 6-(2-chlorophenoxy)-4-methylpyridin-3-amine?
The InChIKey is UNFCZEFLKMSMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-6-12(15-7-10(8)14)16-11-5-3-2-4-9(11)13/h2-7H,14H2,1H3.
What are the key properties of 6-(2-chlorophenoxy)-4-methylpyridin-3-amine?
6-(2-chlorophenoxy)-4-methylpyridin-3-amine has a molecular weight of 234.69 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenoxy)-4-methylpyridin-3-amine is sourced from PubChem (CID 79020774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).