copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine

C19H14ClCuN3O3 — CID 139076810

IUPACcopper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine
SMILES[Cu+2].[O-]/C(=N\N=C\c1ccccc1[O-])c1cc(Cl)ccc1O.c1ccncc1
InChIInChI=1S/C14H11ClN2O3.C5H5N.Cu/c15-10-5-6-13(19)11(7-10)14(20)17-16-8-9-3-1-2-4-12(9)18;1-2-4-6-5-3-1;/h1-8,18-19H,(H,17,20);1-5H;/q;;+2/p-2/b16-8+;;
InChIKeyADOMDLJKTLXUGE-RFZNCAAWSA-L
MW431.34 g/mol
LogP2.34
Rot. Bonds3

About copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine

copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine (PubChem CID 139076810) has the molecular formula C19H14ClCuN3O3 and a molecular weight of 431.34 g/mol. Its IUPAC name is copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine.

Molecular Properties

Compound Namecopper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine
PubChem CID139076810
Molecular FormulaC19H14ClCuN3O3
Molecular Weight431.34 g/mol
Exact Mass430.00
IUPAC Namecopper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine
SMILES[Cu+2].[O-]/C(=N\N=C\c1ccccc1[O-])c1cc(Cl)ccc1O.c1ccncc1
InChIInChI=1S/C14H11ClN2O3.C5H5N.Cu/c15-10-5-6-13(19)11(7-10)14(20)17-16-8-9-3-1-2-4-12(9)18;1-2-4-6-5-3-1;/h1-8,18-19H,(H,17,20);1-5H;/q;;+2/p-2/b16-8+;;
InChIKeyADOMDLJKTLXUGE-RFZNCAAWSA-L
XLogP2.34
TPSA103.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-[[(6-chloro-3-pyridinyl)methylamino]methyl]phenol;hydrochloride
CID 56603520
4-Chloro-2-[(pyridin-4-ylmethylamino)methyl]phenol;hydrochloride
CID 56603521
4-Chloro-2-((3-quinolinylimino)methyl)phenol
CID 270355
4-Chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol
CID 137270315
4-[(E)-2-[1-[(3-chlorophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol chloride
CID 10832214
4-[2-(3-Chlorophenyl)-1-pyridin-2-ylprop-2-enyl]phenol
CID 12404177
4-[(E)-2-(3-chlorophenyl)-1-pyridin-2-ylprop-1-enyl]phenol
CID 12404180
4-[(Z)-2-(3-chlorophenyl)-1-pyridin-2-ylprop-1-enyl]phenol
CID 12404181
3-[2-(3-Chlorophenyl)-6-pyridin-4-yl-4-pyridinyl]phenol
CID 60143933
4-Chloro-2-(pyridin-3-ylmethyliminomethyl)phenol
CID 135659259
4-[2-(3-Chlorophenyl)-6-pyridin-4-yl-4-pyridinyl]phenol
CID 136043232
2-[(4-Chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 162648928

Frequently Asked Questions

What is the IUPAC name of copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine?
The IUPAC name of copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine (CID 139076810) is copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine.
What is the SMILES notation for copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine?
The canonical SMILES for copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine is [Cu+2].[O-]/C(=N\N=C\c1ccccc1[O-])c1cc(Cl)ccc1O.c1ccncc1.
What is the InChIKey of copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine?
The InChIKey is ADOMDLJKTLXUGE-RFZNCAAWSA-L. The full InChI is InChI=1S/C14H11ClN2O3.C5H5N.Cu/c15-10-5-6-13(19)11(7-10)14(20)17-16-8-9-3-1-2-4-12(9)18;1-2-4-6-5-3-1;/h1-8,18-19H,(H,17,20);1-5H;/q;;+2/p-2/b16-8+;;.
What are the key properties of copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine?
copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine has a molecular weight of 431.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(NE,1Z)-5-chloro-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;pyridine is sourced from PubChem (CID 139076810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).