N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride

C21H15Cl6FeN3 — CID 158753495

IUPACN-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride
SMILESC/C(=N\c1ccc(Cl)cc1Cl)c1cccc(/C(C)=N/c2ccc(Cl)cc2Cl)n1.[Cl-].[Cl-].[Fe+2]
InChIInChI=1S/C21H15Cl4N3.2ClH.Fe/c1-12(26-20-8-6-14(22)10-16(20)24)18-4-3-5-19(28-18)13(2)27-21-9-7-15(23)11-17(21)25;;;/h3-11H,1-2H3;2*1H;/q;;;+2/p-2/b26-12+,27-13+;;;
InChIKeyINTRNEJNILCOCX-RCDANDBCSA-L
MW577.94 g/mol
LogP1.98
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride

N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride (PubChem CID 158753495) has the molecular formula C21H15Cl6FeN3 and a molecular weight of 577.94 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride
PubChem CID158753495
Molecular FormulaC21H15Cl6FeN3
Molecular Weight577.94 g/mol
Exact Mass574.87
IUPAC NameN-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride
SMILESC/C(=N\c1ccc(Cl)cc1Cl)c1cccc(/C(C)=N/c2ccc(Cl)cc2Cl)n1.[Cl-].[Cl-].[Fe+2]
InChIInChI=1S/C21H15Cl4N3.2ClH.Fe/c1-12(26-20-8-6-14(22)10-16(20)24)18-4-3-5-19(28-18)13(2)27-21-9-7-15(23)11-17(21)25;;;/h3-11H,1-2H3;2*1H;/q;;;+2/p-2/b26-12+,27-13+;;;
InChIKeyINTRNEJNILCOCX-RCDANDBCSA-L
XLogP1.98
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.94
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride
CID 173074666
N-(2,6-dichlorophenyl)-1-[6-[N-(2,6-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 172995773
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 87860468
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
N-(2,4-dimethoxyphenyl)-1-[6-[N-(2,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 101225444
N-(2-tert-butylphenyl)-1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;carbanide;iron(2+)
CID 59100369
N-[4-[1-[6-[N-(2,5-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]-1-[6-[N-(5-fluoro-2-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 126651824
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloroiron
CID 157029122
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 59305956
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
CID 173243974
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride
CID 173242790

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride (CID 158753495) is N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride is C/C(=N\c1ccc(Cl)cc1Cl)c1cccc(/C(C)=N/c2ccc(Cl)cc2Cl)n1.[Cl-].[Cl-].[Fe+2].
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride?
The InChIKey is INTRNEJNILCOCX-RCDANDBCSA-L. The full InChI is InChI=1S/C21H15Cl4N3.2ClH.Fe/c1-12(26-20-8-6-14(22)10-16(20)24)18-4-3-5-19(28-18)13(2)27-21-9-7-15(23)11-17(21)25;;;/h3-11H,1-2H3;2*1H;/q;;;+2/p-2/b26-12+,27-13+;;;.
What are the key properties of N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride?
N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride has a molecular weight of 577.94 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride is sourced from PubChem (CID 158753495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).