About 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine
6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine (PubChem CID 107530585) has the molecular formula C10H6Cl2FN3
and a molecular weight of 258.08 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine.
Molecular Properties
| Compound Name | 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine |
| PubChem CID | 107530585 |
| Molecular Formula | C10H6Cl2FN3 |
| Molecular Weight | 258.08 g/mol |
| Exact Mass | 256.99 |
| IUPAC Name | 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine |
| SMILES | Fc1ccc(Cl)c(Nc2cncc(Cl)n2)c1 |
| InChI | InChI=1S/C10H6Cl2FN3/c11-7-2-1-6(13)3-8(7)15-10-5-14-4-9(12)16-10/h1-5H,(H,15,16) |
| InChIKey | HJVQAFXRMAAMOG-UHFFFAOYSA-N |
| XLogP | 3.67 |
| TPSA | 37.81 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 | 258.08 |
| LogP ≤ 5 | 3.67 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine (CID 107530585) is 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine is Fc1ccc(Cl)c(Nc2cncc(Cl)n2)c1.
What is the InChIKey of 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine?
The InChIKey is HJVQAFXRMAAMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3/c11-7-2-1-6(13)3-8(7)15-10-5-14-4-9(12)16-10/h1-5H,(H,15,16).
What are the key properties of 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine?
6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine has a molecular weight of 258.08 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 107530585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).