About 2,5-dichloro-4-ethenylpyrimidine
2,5-dichloro-4-ethenylpyrimidine (PubChem CID 118417789) has the molecular formula C6H4Cl2N2
and a molecular weight of 175.02 g/mol. Its IUPAC name is 2,5-dichloro-4-ethenylpyrimidine.
Molecular Properties
| Compound Name | 2,5-dichloro-4-ethenylpyrimidine |
|---|
| PubChem CID | 118417789 |
|---|
| Molecular Formula | C6H4Cl2N2 |
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| Molecular Weight | 175.02 g/mol |
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| Exact Mass | 173.98 |
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| IUPAC Name | 2,5-dichloro-4-ethenylpyrimidine |
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| SMILES | C=Cc1nc(Cl)ncc1Cl |
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| InChI | InChI=1S/C6H4Cl2N2/c1-2-5-4(7)3-9-6(8)10-5/h2-3H,1H2 |
|---|
| InChIKey | ZOLRRYAITMAXEH-UHFFFAOYSA-N |
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| XLogP | 2.43 |
|---|
| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 175.02 |
| LogP ≤ 5 | 2.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,5-dichloro-4-ethenylpyrimidine?
The IUPAC name of 2,5-dichloro-4-ethenylpyrimidine (CID 118417789) is 2,5-dichloro-4-ethenylpyrimidine.
What is the SMILES notation for 2,5-dichloro-4-ethenylpyrimidine?
The canonical SMILES for 2,5-dichloro-4-ethenylpyrimidine is C=Cc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-ethenylpyrimidine?
The InChIKey is ZOLRRYAITMAXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2/c1-2-5-4(7)3-9-6(8)10-5/h2-3H,1H2.
What are the key properties of 2,5-dichloro-4-ethenylpyrimidine?
2,5-dichloro-4-ethenylpyrimidine has a molecular weight of 175.02 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-ethenylpyrimidine is sourced from PubChem (CID 118417789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).