About 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine
6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine (PubChem CID 112547307) has the molecular formula C11H10ClN3
and a molecular weight of 219.68 g/mol. Its IUPAC name is 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine.
Molecular Properties
| Compound Name | 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine |
| PubChem CID | 112547307 |
| Molecular Formula | C11H10ClN3 |
| Molecular Weight | 219.68 g/mol |
| Exact Mass | 219.06 |
| IUPAC Name | 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine |
| SMILES | Cc1nc(-c2cccnc2Cl)ccc1N |
| InChI | InChI=1S/C11H10ClN3/c1-7-9(13)4-5-10(15-7)8-3-2-6-14-11(8)12/h2-6H,13H2,1H3 |
| InChIKey | HXXVYGMLVZBEDM-UHFFFAOYSA-N |
| XLogP | 2.69 |
| TPSA | 51.80 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 219.68 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine?
The IUPAC name of 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine (CID 112547307) is 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine.
What is the SMILES notation for 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine?
The canonical SMILES for 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine is Cc1nc(-c2cccnc2Cl)ccc1N.
What is the InChIKey of 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine?
The InChIKey is HXXVYGMLVZBEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-7-9(13)4-5-10(15-7)8-3-2-6-14-11(8)12/h2-6H,13H2,1H3.
What are the key properties of 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine?
6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine has a molecular weight of 219.68 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine is sourced from PubChem (CID 112547307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).