copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)

C24H14Cl4CuN4O2 — CID 139076930

IUPACcopper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)
SMILES[Cu+2].[O-]c1ccc(Cl)cc1/C=N/c1cccnc1Cl.[O-]c1ccc(Cl)cc1/C=N/c1cccnc1Cl
InChIInChI=1S/2C12H8Cl2N2O.Cu/c2*13-9-3-4-11(17)8(6-9)7-16-10-2-1-5-15-12(10)14;/h2*1-7,17H;/q;;+2/p-2/b2*16-7+;
InChIKeyNDDTUGNYUSZUGS-JFUWJPLBSA-L
MW595.76 g/mol
LogP6.42
Rot. Bonds4

About copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)

copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) (PubChem CID 139076930) has the molecular formula C24H14Cl4CuN4O2 and a molecular weight of 595.76 g/mol. Its IUPAC name is copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate).

Molecular Properties

Compound Namecopper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)
PubChem CID139076930
Molecular FormulaC24H14Cl4CuN4O2
Molecular Weight595.76 g/mol
Exact Mass592.92
IUPAC Namecopper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)
SMILES[Cu+2].[O-]c1ccc(Cl)cc1/C=N/c1cccnc1Cl.[O-]c1ccc(Cl)cc1/C=N/c1cccnc1Cl
InChIInChI=1S/2C12H8Cl2N2O.Cu/c2*13-9-3-4-11(17)8(6-9)7-16-10-2-1-5-15-12(10)14;/h2*1-7,17H;/q;;+2/p-2/b2*16-7+;
InChIKeyNDDTUGNYUSZUGS-JFUWJPLBSA-L
XLogP6.42
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.76
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-((3-quinolinylimino)methyl)phenol
CID 270355
3-[2-(3-Chlorophenyl)-6-pyridin-2-yl-4-pyridinyl]phenol
CID 60143774
4-[2-(3-Chlorophenyl)-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136043228
4-Chloro-2-(quinolin-8-yliminomethyl)-phenol
CID 3490788
Bis(4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolate);nickel(2+)
CID 24193982
4-Chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol
CID 136603827
Bis{2'-[1-(2-hydroxy-5-chlorophenyl)ethylidine]benzohydrazido-kappa^2^O,N^2'^}bis(pyridine-kappaN)zinc(II)
CID 139066978
{4-Chloro-2'-[1-(5-chloro-2-oxidophenyl)ethylidene-kappa^3^O,N^2'^,O']benzhydrazido}tris(pyridine-kappaN)nickel(II) pyridine solvate
CID 139066985
{4,4'-Dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(pyridine-kappaN)zinc(II)
CID 139072345
[5-Chloro-2-hydroxy-N'-(2-oxidobenzylidene)benzohydrazidato]pyridinecopper(II)
CID 139076810
Bis{(E)-4-bromo-2-[(2-chloro-3-pyridyl)iminomethyl]phenolato-kappa^2^N,O}copper(II)
CID 139077019
Bis(4-chloropyridine){2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}cobalt(III) perchlorate methanol monosolvate
CID 139080116

Frequently Asked Questions

What is the IUPAC name of copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)?
The IUPAC name of copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) (CID 139076930) is copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate).
What is the SMILES notation for copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)?
The canonical SMILES for copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) is [Cu+2].[O-]c1ccc(Cl)cc1/C=N/c1cccnc1Cl.[O-]c1ccc(Cl)cc1/C=N/c1cccnc1Cl.
What is the InChIKey of copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)?
The InChIKey is NDDTUGNYUSZUGS-JFUWJPLBSA-L. The full InChI is InChI=1S/2C12H8Cl2N2O.Cu/c2*13-9-3-4-11(17)8(6-9)7-16-10-2-1-5-15-12(10)14;/h2*1-7,17H;/q;;+2/p-2/b2*16-7+;.
What are the key properties of copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)?
copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) has a molecular weight of 595.76 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) is sourced from PubChem (CID 139076930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).