About copper;naphthalene-1-carbonitrile;diformate
copper;naphthalene-1-carbonitrile;diformate (PubChem CID 175354271) has the molecular formula C13H9CuNO4
and a molecular weight of 306.76 g/mol. Its IUPAC name is copper;naphthalene-1-carbonitrile;diformate.
Molecular Properties
| Compound Name | copper;naphthalene-1-carbonitrile;diformate |
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| PubChem CID | 175354271 |
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| Molecular Formula | C13H9CuNO4 |
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| Molecular Weight | 306.76 g/mol |
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| Exact Mass | 305.98 |
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| IUPAC Name | copper;naphthalene-1-carbonitrile;diformate |
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| SMILES | N#Cc1cccc2ccccc12.O=C[O-].O=C[O-].[Cu+2] |
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| InChI | InChI=1S/C11H7N.2CH2O2.Cu/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;2*2-1-3;/h1-7H;2*1H,(H,2,3);/q;;;+2/p-2 |
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| InChIKey | XXICGZLJWCYUOS-UHFFFAOYSA-L |
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| XLogP | -0.56 |
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| TPSA | 104.05 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | |
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| Heavy Atoms | 19 |
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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 | 306.76 |
| LogP ≤ 5 | -0.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of copper;naphthalene-1-carbonitrile;diformate?
The IUPAC name of copper;naphthalene-1-carbonitrile;diformate (CID 175354271) is copper;naphthalene-1-carbonitrile;diformate.
What is the SMILES notation for copper;naphthalene-1-carbonitrile;diformate?
The canonical SMILES for copper;naphthalene-1-carbonitrile;diformate is N#Cc1cccc2ccccc12.O=C[O-].O=C[O-].[Cu+2].
What is the InChIKey of copper;naphthalene-1-carbonitrile;diformate?
The InChIKey is XXICGZLJWCYUOS-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H7N.2CH2O2.Cu/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;2*2-1-3;/h1-7H;2*1H,(H,2,3);/q;;;+2/p-2.
What are the key properties of copper;naphthalene-1-carbonitrile;diformate?
copper;naphthalene-1-carbonitrile;diformate has a molecular weight of 306.76 g/mol, XLogP of -0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;naphthalene-1-carbonitrile;diformate is sourced from PubChem (CID 175354271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).