copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate

C17H15Cl2CuN3O6 — CID 135510087

IUPACcopper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccncc1.[Cu+2]
InChIInChI=1S/C13H9Cl2N3O2.2C2H4O2.Cu/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8;2*1-2(3)4;/h1-7,19H,(H,18,20);2*1H3,(H,3,4);/q;;;+2/p-2/b17-7+;;;
InChIKeyKXWDNAUDPDDXEV-SLWJBZKLSA-L
MW491.77 g/mol
LogP0.37
Rot. Bonds3

About copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate

copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate (PubChem CID 135510087) has the molecular formula C17H15Cl2CuN3O6 and a molecular weight of 491.77 g/mol. Its IUPAC name is copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate.

Molecular Properties

Compound Namecopper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate
PubChem CID135510087
Molecular FormulaC17H15Cl2CuN3O6
Molecular Weight491.77 g/mol
Exact Mass489.96
IUPAC Namecopper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccncc1.[Cu+2]
InChIInChI=1S/C13H9Cl2N3O2.2C2H4O2.Cu/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8;2*1-2(3)4;/h1-7,19H,(H,18,20);2*1H3,(H,3,4);/q;;;+2/p-2/b17-7+;;;
InChIKeyKXWDNAUDPDDXEV-SLWJBZKLSA-L
XLogP0.37
TPSA154.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.77
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136661357
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide
CID 136680564
4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3365256
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361735
3-bromo-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 5196693
N-[3-[[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 136774361
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 758167
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135643394
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 137167158

Frequently Asked Questions

What is the IUPAC name of copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate?
The IUPAC name of copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate (CID 135510087) is copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate.
What is the SMILES notation for copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate?
The canonical SMILES for copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate is CC(=O)[O-].CC(=O)[O-].O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccncc1.[Cu+2].
What is the InChIKey of copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate?
The InChIKey is KXWDNAUDPDDXEV-SLWJBZKLSA-L. The full InChI is InChI=1S/C13H9Cl2N3O2.2C2H4O2.Cu/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8;2*1-2(3)4;/h1-7,19H,(H,18,20);2*1H3,(H,3,4);/q;;;+2/p-2/b17-7+;;;.
What are the key properties of copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate?
copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate has a molecular weight of 491.77 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate is sourced from PubChem (CID 135510087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).