About 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride
1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride (PubChem CID 173243115) has the molecular formula C23H22Cl4N3Nd
and a molecular weight of 626.50 g/mol. Its IUPAC name is 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride.
Molecular Properties
| Compound Name | 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride |
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| PubChem CID | 173243115 |
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| Molecular Formula | C23H22Cl4N3Nd |
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| Molecular Weight | 626.50 g/mol |
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| Exact Mass | 621.96 |
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| IUPAC Name | 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride |
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| SMILES | Cc1cccc(C)c1/N=C/c1cc(Cl)cc(/C=N/c2c(C)cccc2C)n1.[Cl-].[Cl-].[Cl-].[Nd+3] |
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| InChI | InChI=1S/C23H22ClN3.3ClH.Nd/c1-15-7-5-8-16(2)22(15)25-13-20-11-19(24)12-21(27-20)14-26-23-17(3)9-6-10-18(23)4;;;;/h5-14H,1-4H3;3*1H;/q;;;;+3/p-3/b25-13+,26-14+;;;; |
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| InChIKey | NTTVKFVYALFCKV-PTYFAGGCSA-K |
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| XLogP | -2.52 |
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| TPSA | 37.61 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 626.50 |
| LogP ≤ 5 | -2.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride?
The IUPAC name of 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride (CID 173243115) is 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride.
What is the SMILES notation for 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride?
The canonical SMILES for 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride is Cc1cccc(C)c1/N=C/c1cc(Cl)cc(/C=N/c2c(C)cccc2C)n1.[Cl-].[Cl-].[Cl-].[Nd+3].
What is the InChIKey of 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride?
The InChIKey is NTTVKFVYALFCKV-PTYFAGGCSA-K. The full InChI is InChI=1S/C23H22ClN3.3ClH.Nd/c1-15-7-5-8-16(2)22(15)25-13-20-11-19(24)12-21(27-20)14-26-23-17(3)9-6-10-18(23)4;;;;/h5-14H,1-4H3;3*1H;/q;;;;+3/p-3/b25-13+,26-14+;;;;.
What are the key properties of 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride?
1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride has a molecular weight of 626.50 g/mol, XLogP of -2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-[(2,6-dimethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dimethylphenyl)methanimine;neodymium(3+);trichloride is sourced from PubChem (CID 173243115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).