cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine)

C38H30Cl4CoN6O4 — CID 139069570

IUPACcobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine)
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1O.O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1O.[Co].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;/b2*17-8-;;;
InChIKeyNSYOWQNTAJHXLV-JXNJYMPKSA-N
MW835.44 g/mol
LogP9.09
Rot. Bonds6

About cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine)

cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine) (PubChem CID 139069570) has the molecular formula C38H30Cl4CoN6O4 and a molecular weight of 835.44 g/mol. Its IUPAC name is cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine).

Molecular Properties

Compound Namecobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine)
PubChem CID139069570
Molecular FormulaC38H30Cl4CoN6O4
Molecular Weight835.44 g/mol
Exact Mass833.04
IUPAC Namecobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine)
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1O.O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1O.[Co].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;/b2*17-8-;;;
InChIKeyNSYOWQNTAJHXLV-JXNJYMPKSA-N
XLogP9.09
TPSA149.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.44
LogP ≤ 59.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cobalt; 2-hydroxy-N-[(E)-2-pyridylmethyleneamino]benzamide
CID 9578808
bis(2,4-dichlorobenzaldehyde 2-hydroxybenzoylhydrazonato-kappa^2^N,O)bis(pyridine-kappaN)cobalt(II)
CID 139071627
Bis[2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazitato]dipyridinecadmium(II)
CID 139075541
CID 139076769
CID 139076769
4-chloro-2-hydroxy-N'-(4-pyridinylmethylene)benzohydrazide
CID 5333806
N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide
CID 44506498
5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide
CID 162738342
4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853789
4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 867441
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxybenzamide
CID 1950832
5-chloro-2-hydroxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 3535980
5-chloro-2-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 3647122

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine)?
The IUPAC name of cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine) (CID 139069570) is cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine).
What is the SMILES notation for cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine)?
The canonical SMILES for cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine) is O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1O.O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1O.[Co].c1ccncc1.c1ccncc1.
What is the InChIKey of cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine)?
The InChIKey is NSYOWQNTAJHXLV-JXNJYMPKSA-N. 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;/b2*17-8-;;;.
What are the key properties of cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine)?
cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine) has a molecular weight of 835.44 g/mol, XLogP of 9.09, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxybenzamide);bis(pyridine) is sourced from PubChem (CID 139069570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).