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

C24H14Br2Cl2CuN4O2 — CID 139077019

IUPACcopper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)
SMILES[Cu+2].[O-]c1ccc(Br)cc1/C=N/c1cccnc1Cl.[O-]c1ccc(Br)cc1/C=N/c1cccnc1Cl
InChIInChI=1S/2C12H8BrClN2O.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+;
InChIKeyYRIKVFGLZFPQQU-JFUWJPLBSA-L
MW684.66 g/mol
LogP6.64
Rot. Bonds4

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

copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) (PubChem CID 139077019) has the molecular formula C24H14Br2Cl2CuN4O2 and a molecular weight of 684.66 g/mol. Its IUPAC name is copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate).

Molecular Properties

Compound Namecopper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)
PubChem CID139077019
Molecular FormulaC24H14Br2Cl2CuN4O2
Molecular Weight684.66 g/mol
Exact Mass680.82
IUPAC Namecopper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)
SMILES[Cu+2].[O-]c1ccc(Br)cc1/C=N/c1cccnc1Cl.[O-]c1ccc(Br)cc1/C=N/c1cccnc1Cl
InChIInChI=1S/2C12H8BrClN2O.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+;
InChIKeyYRIKVFGLZFPQQU-JFUWJPLBSA-L
XLogP6.64
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.66
LogP ≤ 56.64
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-Bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol
CID 136632126
{2'-[1-(5-Bromo-2-oxidophenyl)ethylidene]benzohydrazidato(2-)}tris(pyridine)nickel(II)] pyridine solvate
CID 139067106
{N'-[(E)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4-chlorobenzohydrazidato}pyridinenickel(II)
CID 139076752
Bis{(E)-4-chloro-2-[(2-chloro-3-pyridyl)iminomethyl-kappaN]phenolato-kappaO}copper(II)
CID 139076930
{N'-[(E)-(5-Bromo-2-oxidophenyl)(phenyl)methylene]-4-chlorobenzohydrazidato}pyridinenickel(II)
CID 139077160
5Br3SAP-14IBz
CID 139204506
5Br3SAP-13IBz
CID 139204508
5Br3SAP-14IbiPh
CID 139204510
4-Bromo-2-[[2-[(5-bromo-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15773985
4-bromo-2-[[[(2R)-2-[(5-bromo-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl]-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102312678
4-Bromo-2-[[2-[(5-bromo-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102433715
4-Bromo-2-[[(6-chloro-3-pyridinyl)amino]methyl]phenol
CID 103949581

Frequently Asked Questions

What is the IUPAC name of copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)?
The IUPAC name of copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) (CID 139077019) is copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate).
What is the SMILES notation for copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)?
The canonical SMILES for copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) is [Cu+2].[O-]c1ccc(Br)cc1/C=N/c1cccnc1Cl.[O-]c1ccc(Br)cc1/C=N/c1cccnc1Cl.
What is the InChIKey of copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)?
The InChIKey is YRIKVFGLZFPQQU-JFUWJPLBSA-L. The full InChI is InChI=1S/2C12H8BrClN2O.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-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate)?
copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) has a molecular weight of 684.66 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenolate) is sourced from PubChem (CID 139077019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).