About 6-bromo-4-methoxy-N-methylpyridin-2-amine
6-bromo-4-methoxy-N-methylpyridin-2-amine (PubChem CID 133061275) has the molecular formula C7H9BrN2O
and a molecular weight of 217.07 g/mol. Its IUPAC name is 6-bromo-4-methoxy-N-methylpyridin-2-amine.
Molecular Properties
| Compound Name | 6-bromo-4-methoxy-N-methylpyridin-2-amine |
| PubChem CID | 133061275 |
| Molecular Formula | C7H9BrN2O |
| Molecular Weight | 217.07 g/mol |
| Exact Mass | 215.99 |
| IUPAC Name | 6-bromo-4-methoxy-N-methylpyridin-2-amine |
| SMILES | CNc1cc(OC)cc(Br)n1 |
| InChI | InChI=1S/C7H9BrN2O/c1-9-7-4-5(11-2)3-6(8)10-7/h3-4H,1-2H3,(H,9,10) |
| InChIKey | RJZISOWPELCJCN-UHFFFAOYSA-N |
| XLogP | 1.89 |
| TPSA | 34.15 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 217.07 |
| LogP ≤ 5 | 1.89 |
| 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-bromo-4-methoxy-N-methylpyridin-2-amine?
The IUPAC name of 6-bromo-4-methoxy-N-methylpyridin-2-amine (CID 133061275) is 6-bromo-4-methoxy-N-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-4-methoxy-N-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-4-methoxy-N-methylpyridin-2-amine is CNc1cc(OC)cc(Br)n1.
What is the InChIKey of 6-bromo-4-methoxy-N-methylpyridin-2-amine?
The InChIKey is RJZISOWPELCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-9-7-4-5(11-2)3-6(8)10-7/h3-4H,1-2H3,(H,9,10).
What are the key properties of 6-bromo-4-methoxy-N-methylpyridin-2-amine?
6-bromo-4-methoxy-N-methylpyridin-2-amine has a molecular weight of 217.07 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxy-N-methylpyridin-2-amine is sourced from PubChem (CID 133061275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).