1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride

C27H30Cl3CoN3 — CID 173242783

IUPAC1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1cc(Cl)cc(/C(C)=N/c2c(C)cc(C)cc2C)n1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C27H30ClN3.2ClH.Co/c1-15-9-17(3)26(18(4)10-15)29-21(7)24-13-23(28)14-25(31-24)22(8)30-27-19(5)11-16(2)12-20(27)6;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2/b29-21+,30-22+;;;
InChIKeyWAGWTSHIMXETMN-GGVBBUNRSA-L
MW561.85 g/mol
LogP1.87
Rot. Bonds4

About 1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride

1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride (PubChem CID 173242783) has the molecular formula C27H30Cl3CoN3 and a molecular weight of 561.85 g/mol. Its IUPAC name is 1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride.

Molecular Properties

Compound Name1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride
PubChem CID173242783
Molecular FormulaC27H30Cl3CoN3
Molecular Weight561.85 g/mol
Exact Mass560.08
IUPAC Name1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1cc(Cl)cc(/C(C)=N/c2c(C)cc(C)cc2C)n1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C27H30ClN3.2ClH.Co/c1-15-9-17(3)26(18(4)10-15)29-21(7)24-13-23(28)14-25(31-24)22(8)30-27-19(5)11-16(2)12-20(27)6;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2/b29-21+,30-22+;;;
InChIKeyWAGWTSHIMXETMN-GGVBBUNRSA-L
XLogP1.87
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.85
LogP ≤ 51.87
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 1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride?
The IUPAC name of 1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride (CID 173242783) is 1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride.
What is the SMILES notation for 1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride?
The canonical SMILES for 1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride is C/C(=N\c1c(C)cc(C)cc1C)c1cc(Cl)cc(/C(C)=N/c2c(C)cc(C)cc2C)n1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of 1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride?
The InChIKey is WAGWTSHIMXETMN-GGVBBUNRSA-L. The full InChI is InChI=1S/C27H30ClN3.2ClH.Co/c1-15-9-17(3)26(18(4)10-15)29-21(7)24-13-23(28)14-25(31-24)22(8)30-27-19(5)11-16(2)12-20(27)6;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2/b29-21+,30-22+;;;.
What are the key properties of 1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride?
1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride has a molecular weight of 561.85 g/mol, XLogP of 1.87, 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-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride is sourced from PubChem (CID 173242783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).