About 4-azido-5-chloro-2,6-difluoropyrimidine
4-azido-5-chloro-2,6-difluoropyrimidine (PubChem CID 12596726) has the molecular formula C4ClF2N5
and a molecular weight of 191.53 g/mol. Its IUPAC name is 4-azido-5-chloro-2,6-difluoropyrimidine.
Molecular Properties
| Compound Name | 4-azido-5-chloro-2,6-difluoropyrimidine |
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| PubChem CID | 12596726 |
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| Molecular Formula | C4ClF2N5 |
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| Molecular Weight | 191.53 g/mol |
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| Exact Mass | 190.98 |
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| IUPAC Name | 4-azido-5-chloro-2,6-difluoropyrimidine |
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| SMILES | [N-]=[N+]=Nc1nc(F)nc(F)c1Cl |
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| InChI | InChI=1S/C4ClF2N5/c5-1-2(6)9-4(7)10-3(1)11-12-8 |
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| InChIKey | OTLVEEIKFORHEG-UHFFFAOYSA-N |
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| XLogP | 2.35 |
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| TPSA | 74.54 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 191.53 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-azido-5-chloro-2,6-difluoropyrimidine?
The IUPAC name of 4-azido-5-chloro-2,6-difluoropyrimidine (CID 12596726) is 4-azido-5-chloro-2,6-difluoropyrimidine.
What is the SMILES notation for 4-azido-5-chloro-2,6-difluoropyrimidine?
The canonical SMILES for 4-azido-5-chloro-2,6-difluoropyrimidine is [N-]=[N+]=Nc1nc(F)nc(F)c1Cl.
What is the InChIKey of 4-azido-5-chloro-2,6-difluoropyrimidine?
The InChIKey is OTLVEEIKFORHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF2N5/c5-1-2(6)9-4(7)10-3(1)11-12-8.
What are the key properties of 4-azido-5-chloro-2,6-difluoropyrimidine?
4-azido-5-chloro-2,6-difluoropyrimidine has a molecular weight of 191.53 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-5-chloro-2,6-difluoropyrimidine is sourced from PubChem (CID 12596726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).