cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride

C22H21Cl3CoN3 — CID 70014254

IUPACcobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride
SMILESCc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(C)cc3)n2)cc1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C22H21N3.3ClH.Co/c1-16-4-8-19(9-5-16)23-14-21-12-18(3)13-22(25-21)15-24-20-10-6-17(2)7-11-20;;;;/h4-15H,1-3H3;3*1H;/q;;;;+3/p-3/b23-14+,24-15+;;;;
InChIKeyZRWDLIJJYDBFFO-NTJLHMIZSA-K
MW492.72 g/mol
LogP-3.48
Rot. Bonds4

About cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride

cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride (PubChem CID 70014254) has the molecular formula C22H21Cl3CoN3 and a molecular weight of 492.72 g/mol. Its IUPAC name is cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride.

Molecular Properties

Compound Namecobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride
PubChem CID70014254
Molecular FormulaC22H21Cl3CoN3
Molecular Weight492.72 g/mol
Exact Mass491.01
IUPAC Namecobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride
SMILESCc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(C)cc3)n2)cc1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C22H21N3.3ClH.Co/c1-16-4-8-19(9-5-16)23-14-21-12-18(3)13-22(25-21)15-24-20-10-6-17(2)7-11-20;;;;/h4-15H,1-3H3;3*1H;/q;;;;+3/p-3/b23-14+,24-15+;;;;
InChIKeyZRWDLIJJYDBFFO-NTJLHMIZSA-K
XLogP-3.48
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.72
LogP ≤ 5-3.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride?
The IUPAC name of cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride (CID 70014254) is cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride.
What is the SMILES notation for cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride?
The canonical SMILES for cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride is Cc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(C)cc3)n2)cc1.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride?
The InChIKey is ZRWDLIJJYDBFFO-NTJLHMIZSA-K. The full InChI is InChI=1S/C22H21N3.3ClH.Co/c1-16-4-8-19(9-5-16)23-14-21-12-18(3)13-22(25-21)15-24-20-10-6-17(2)7-11-20;;;;/h4-15H,1-3H3;3*1H;/q;;;;+3/p-3/b23-14+,24-15+;;;;.
What are the key properties of cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride?
cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride has a molecular weight of 492.72 g/mol, XLogP of -3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride is sourced from PubChem (CID 70014254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).