cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride

C23H23Cl3CoN3 — CID 173244874

IUPACcobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
SMILESC/C(=N\c1ccc(C)cc1)c1cccc(/C(C)=N/c2ccc(C)cc2)n1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C23H23N3.3ClH.Co/c1-16-8-12-20(13-9-16)24-18(3)22-6-5-7-23(26-22)19(4)25-21-14-10-17(2)11-15-21;;;;/h5-15H,1-4H3;3*1H;/q;;;;+3/p-3/b24-18+,25-19+;;;;
InChIKeyMORNPNNMAOIGAD-WMMGTOIWSA-K
MW506.75 g/mol
LogP-3.01
Rot. Bonds4

About cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride

cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride (PubChem CID 173244874) has the molecular formula C23H23Cl3CoN3 and a molecular weight of 506.75 g/mol. Its IUPAC name is cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride.

Molecular Properties

Compound Namecobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
PubChem CID173244874
Molecular FormulaC23H23Cl3CoN3
Molecular Weight506.75 g/mol
Exact Mass505.03
IUPAC Namecobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
SMILESC/C(=N\c1ccc(C)cc1)c1cccc(/C(C)=N/c2ccc(C)cc2)n1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C23H23N3.3ClH.Co/c1-16-8-12-20(13-9-16)24-18(3)22-6-5-7-23(26-22)19(4)25-21-14-10-17(2)11-15-21;;;;/h5-15H,1-4H3;3*1H;/q;;;;+3/p-3/b24-18+,25-19+;;;;
InChIKeyMORNPNNMAOIGAD-WMMGTOIWSA-K
XLogP-3.01
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.75
LogP ≤ 5-3.01
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-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride?
The IUPAC name of cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride (CID 173244874) is cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride.
What is the SMILES notation for cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride?
The canonical SMILES for cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride is C/C(=N\c1ccc(C)cc1)c1cccc(/C(C)=N/c2ccc(C)cc2)n1.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride?
The InChIKey is MORNPNNMAOIGAD-WMMGTOIWSA-K. The full InChI is InChI=1S/C23H23N3.3ClH.Co/c1-16-8-12-20(13-9-16)24-18(3)22-6-5-7-23(26-22)19(4)25-21-14-10-17(2)11-15-21;;;;/h5-15H,1-4H3;3*1H;/q;;;;+3/p-3/b24-18+,25-19+;;;;.
What are the key properties of cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride?
cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride has a molecular weight of 506.75 g/mol, XLogP of -3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride is sourced from PubChem (CID 173244874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).