About 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine
5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine (PubChem CID 103518810) has the molecular formula C11H7Br2FN2O
and a molecular weight of 362.00 g/mol. Its IUPAC name is 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine.
Molecular Properties
| Compound Name | 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine |
| PubChem CID | 103518810 |
| Molecular Formula | C11H7Br2FN2O |
| Molecular Weight | 362.00 g/mol |
| Exact Mass | 359.89 |
| IUPAC Name | 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine |
| SMILES | Nc1cncc(Br)c1Oc1ccc(Br)c(F)c1 |
| InChI | InChI=1S/C11H7Br2FN2O/c12-7-2-1-6(3-9(7)14)17-11-8(13)4-16-5-10(11)15/h1-5H,15H2 |
| InChIKey | GCSNFTAXMHHJEL-UHFFFAOYSA-N |
| XLogP | 4.12 |
| 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 | 362.00 |
| LogP ≤ 5 | 4.12 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine (CID 103518810) is 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine is Nc1cncc(Br)c1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine?
The InChIKey is GCSNFTAXMHHJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FN2O/c12-7-2-1-6(3-9(7)14)17-11-8(13)4-16-5-10(11)15/h1-5H,15H2.
What are the key properties of 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine?
5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine has a molecular weight of 362.00 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine is sourced from PubChem (CID 103518810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).