cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine)

C38H28Cl4CoN6O4 — CID 139071627

IUPACcobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine)
SMILES[Co+2].[O-]/C(=N\N=C/c1ccc(Cl)cc1Cl)c1ccccc1O.[O-]/C(=N\N=C/c1ccc(Cl)cc1Cl)c1ccccc1O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H10Cl2N2O2.2C5H5N.Co/c2*15-10-6-5-9(12(16)7-10)8-17-18-14(20)11-3-1-2-4-13(11)19;2*1-2-4-6-5-3-1;/h2*1-8,19H,(H,18,20);2*1-5H;/q;;;;+2/p-2/b2*17-8-;;;
InChIKeyASHWIEMKUVAOBB-JXNJYMPKSA-L
MW833.43 g/mol
LogP7.84
Rot. Bonds6

About cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine)

cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine) (PubChem CID 139071627) has the molecular formula C38H28Cl4CoN6O4 and a molecular weight of 833.43 g/mol. Its IUPAC name is cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine).

Molecular Properties

Compound Namecobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine)
PubChem CID139071627
Molecular FormulaC38H28Cl4CoN6O4
Molecular Weight833.43 g/mol
Exact Mass831.03
IUPAC Namecobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine)
SMILES[Co+2].[O-]/C(=N\N=C/c1ccc(Cl)cc1Cl)c1ccccc1O.[O-]/C(=N\N=C/c1ccc(Cl)cc1Cl)c1ccccc1O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H10Cl2N2O2.2C5H5N.Co/c2*15-10-6-5-9(12(16)7-10)8-17-18-14(20)11-3-1-2-4-13(11)19;2*1-2-4-6-5-3-1;/h2*1-8,19H,(H,18,20);2*1-5H;/q;;;;+2/p-2/b2*17-8-;;;
InChIKeyASHWIEMKUVAOBB-JXNJYMPKSA-L
XLogP7.84
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.43
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato-kappa^2^N,O]bis(pyridine-kappaN)nickel(II)
CID 139060428
1-(2-chlorobenzyl)-4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridinium chloride hemihydrate
CID 139060434
Bis{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-kappaN)zinc(II)
CID 139066729
Bis{2'-[1-(2-hydroxy-5-chlorophenyl)ethylidine]benzohydrazido-kappa^2^O,N^2'^}bis(pyridine-kappaN)zinc(II)
CID 139066978
Bis(pyridine-kN)bis{(Z)-N'-(2,4-dichlorobenzylidene)-2-hydroxybenzohydrazide}cobalt(II)
CID 139069570
trans-Bis[acetone (2-hydroxybenzoyl)hydrazonato-kappa^2^N',O]bis(pyridine-kappaN)zinc(II)
CID 139075998
Bis(2-hydroxy-N'-isopropylidenebenzohydrazidato-kappa^2^N',O)bis(pyridine-kappaN)cobalt(II)
CID 139076237
Bis(4-chloropyridine){2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}cobalt(III) perchlorate methanol monosolvate
CID 139080116
Bis{mu-4-chloro-N'-[(E)-1-(5-chloro-2-oxidophenyl)ethylidene]benzohydrazidato}bis[pyridinecopper(II)]
CID 139082440
ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));bis(pyridine);bis(vanadium)
CID 139138213
4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)
CID 139204780
2-[1,2-Bis[(6-chloro-3-pyridinyl)methylideneamino]-2-(2-hydroxyphenyl)ethyl]phenol
CID 58006809

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine)?
The IUPAC name of cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine) (CID 139071627) is cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine).
What is the SMILES notation for cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine)?
The canonical SMILES for cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine) is [Co+2].[O-]/C(=N\N=C/c1ccc(Cl)cc1Cl)c1ccccc1O.[O-]/C(=N\N=C/c1ccc(Cl)cc1Cl)c1ccccc1O.c1ccncc1.c1ccncc1.
What is the InChIKey of cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine)?
The InChIKey is ASHWIEMKUVAOBB-JXNJYMPKSA-L. The full InChI is InChI=1S/2C14H10Cl2N2O2.2C5H5N.Co/c2*15-10-6-5-9(12(16)7-10)8-17-18-14(20)11-3-1-2-4-13(11)19;2*1-2-4-6-5-3-1;/h2*1-8,19H,(H,18,20);2*1-5H;/q;;;;+2/p-2/b2*17-8-;;;.
What are the key properties of cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine)?
cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine) has a molecular weight of 833.43 g/mol, XLogP of 7.84, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis((NE,1Z)-N-[(2,4-dichlorophenyl)methylidene]-2-hydroxybenzenecarbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139071627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).