About carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine
carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine (PubChem CID 11467142) has the molecular formula C27H26ClN2OPRu
and a molecular weight of 562.02 g/mol. Its IUPAC name is carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine.
Molecular Properties
| Compound Name | carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine |
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| PubChem CID | 11467142 |
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| Molecular Formula | C27H26ClN2OPRu |
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| Molecular Weight | 562.02 g/mol |
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| Exact Mass | 562.05 |
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| IUPAC Name | carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine |
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| SMILES | Cl[Ru+].NCc1ccccn1.[C-]#[O+].[CH2-]c1cccc(C)c1P(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C20H18P.C6H8N2.CO.ClH.Ru/c1-16-10-9-11-17(2)20(16)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19;7-5-6-3-1-2-4-8-6;1-2;;/h3-15H,1H2,2H3;1-4H,5,7H2;;1H;/q-1;;;;+2/p-1 |
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| InChIKey | YTKGFVNNXJJQMS-UHFFFAOYSA-M |
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| XLogP | 5.13 |
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| TPSA | 58.81 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 562.02 |
| LogP ≤ 5 | 5.13 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine?
The IUPAC name of carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine (CID 11467142) is carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine.
What is the SMILES notation for carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine?
The canonical SMILES for carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine is Cl[Ru+].NCc1ccccn1.[C-]#[O+].[CH2-]c1cccc(C)c1P(c1ccccc1)c1ccccc1.
What is the InChIKey of carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine?
The InChIKey is YTKGFVNNXJJQMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18P.C6H8N2.CO.ClH.Ru/c1-16-10-9-11-17(2)20(16)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19;7-5-6-3-1-2-4-8-6;1-2;;/h3-15H,1H2,2H3;1-4H,5,7H2;;1H;/q-1;;;;+2/p-1.
What are the key properties of carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine?
carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine has a molecular weight of 562.02 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chlororuthenium(1+);(2-methanidyl-6-methylphenyl)-diphenylphosphane;pyridin-2-ylmethanamine is sourced from PubChem (CID 11467142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).