cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)

C28H18Cl4CoN4O6 — CID 5386751

IUPACcobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccccc1O.O=C(N/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccccc1O.[Co+2]
InChIInChI=1S/2C14H10Cl2N2O3.Co/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;
InChIKeyMXAPWQBGUKNBCH-CNHJQGRJSA-L
MW707.22 g/mol
LogP5.07
Rot. Bonds6

About cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)

cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate) (PubChem CID 5386751) has the molecular formula C28H18Cl4CoN4O6 and a molecular weight of 707.22 g/mol. Its IUPAC name is cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate).

Molecular Properties

Compound Namecobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)
PubChem CID5386751
Molecular FormulaC28H18Cl4CoN4O6
Molecular Weight707.22 g/mol
Exact Mass704.93
IUPAC Namecobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccccc1O.O=C(N/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccccc1O.[Co+2]
InChIInChI=1S/2C14H10Cl2N2O3.Co/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;
InChIKeyMXAPWQBGUKNBCH-CNHJQGRJSA-L
XLogP5.07
TPSA169.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.22
LogP ≤ 55.07
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

copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)
CID 50910310
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135578608
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;2,4-dibromo-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride
CID 24893012
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137095074
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-[[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamothioylamino]benzamide
CID 135520646
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)?
The IUPAC name of cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate) (CID 5386751) is cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate).
What is the SMILES notation for cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)?
The canonical SMILES for cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate) is O=C(N/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccccc1O.O=C(N/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccccc1O.[Co+2].
What is the InChIKey of cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)?
The InChIKey is MXAPWQBGUKNBCH-CNHJQGRJSA-L. The full InChI is InChI=1S/2C14H10Cl2N2O3.Co/c2*15-9-5-8(13(20)11(16)6-9)7-17-18-14(21)10-3-1-2-4-12(10)19;/h2*1-7,19-20H,(H,18,21);/q;;+2/p-2/b2*17-7+;.
What are the key properties of cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)?
cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate) has a molecular weight of 707.22 g/mol, XLogP of 5.07, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate) is sourced from PubChem (CID 5386751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).