About 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine
2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine (PubChem CID 130105886) has the molecular formula C8H11F2N3O
and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine.
Molecular Properties
| Compound Name | 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine |
| PubChem CID | 130105886 |
| Molecular Formula | C8H11F2N3O |
| Molecular Weight | 203.19 g/mol |
| Exact Mass | 203.09 |
| IUPAC Name | 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine |
| SMILES | COc1cc(C(F)F)c(N)c(CN)n1 |
| InChI | InChI=1S/C8H11F2N3O/c1-14-6-2-4(8(9)10)7(12)5(3-11)13-6/h2,8H,3,11-12H2,1H3 |
| InChIKey | OVOBOWYAHUEOIZ-UHFFFAOYSA-N |
| XLogP | 1.07 |
| TPSA | 74.16 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 203.19 |
| LogP ≤ 5 | 1.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine?
The IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine (CID 130105886) is 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine.
What is the SMILES notation for 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine?
The canonical SMILES for 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine is COc1cc(C(F)F)c(N)c(CN)n1.
What is the InChIKey of 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine?
The InChIKey is OVOBOWYAHUEOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-14-6-2-4(8(9)10)7(12)5(3-11)13-6/h2,8H,3,11-12H2,1H3.
What are the key properties of 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine?
2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine has a molecular weight of 203.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine is sourced from PubChem (CID 130105886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).