1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride

C27H30Cl3CoN3 — CID 70014357

IUPAC1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
SMILESCCc1cccc(CC)c1/N=C/c1cc(Cl)cc(/C=N/c2c(CC)cccc2CC)n1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C27H30ClN3.2ClH.Co/c1-5-19-11-9-12-20(6-2)26(19)29-17-24-15-23(28)16-25(31-24)18-30-27-21(7-3)13-10-14-22(27)8-4;;;/h9-18H,5-8H2,1-4H3;2*1H;/q;;;+2/p-2/b29-17+,30-18+;;;
InChIKeyNWUIORMZYRICIL-GYCDCWHSSA-L
MW561.85 g/mol
LogP1.49
Rot. Bonds8

About 1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride

1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride (PubChem CID 70014357) has the molecular formula C27H30Cl3CoN3 and a molecular weight of 561.85 g/mol. Its IUPAC name is 1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride.

Molecular Properties

Compound Name1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
PubChem CID70014357
Molecular FormulaC27H30Cl3CoN3
Molecular Weight561.85 g/mol
Exact Mass560.08
IUPAC Name1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
SMILESCCc1cccc(CC)c1/N=C/c1cc(Cl)cc(/C=N/c2c(CC)cccc2CC)n1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C27H30ClN3.2ClH.Co/c1-5-19-11-9-12-20(6-2)26(19)29-17-24-15-23(28)16-25(31-24)18-30-27-21(7-3)13-10-14-22(27)8-4;;;/h9-18H,5-8H2,1-4H3;2*1H;/q;;;+2/p-2/b29-17+,30-18+;;;
InChIKeyNWUIORMZYRICIL-GYCDCWHSSA-L
XLogP1.49
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.85
LogP ≤ 51.49
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-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride?
The IUPAC name of 1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride (CID 70014357) is 1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride.
What is the SMILES notation for 1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride?
The canonical SMILES for 1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride is CCc1cccc(CC)c1/N=C/c1cc(Cl)cc(/C=N/c2c(CC)cccc2CC)n1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of 1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride?
The InChIKey is NWUIORMZYRICIL-GYCDCWHSSA-L. The full InChI is InChI=1S/C27H30ClN3.2ClH.Co/c1-5-19-11-9-12-20(6-2)26(19)29-17-24-15-23(28)16-25(31-24)18-30-27-21(7-3)13-10-14-22(27)8-4;;;/h9-18H,5-8H2,1-4H3;2*1H;/q;;;+2/p-2/b29-17+,30-18+;;;.
What are the key properties of 1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride?
1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride has a molecular weight of 561.85 g/mol, XLogP of 1.49, 8 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-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride is sourced from PubChem (CID 70014357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).