copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine

C23H17CuN3O3 — CID 139069360

IUPACcopper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine
SMILES[Cu+2].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1O.c1ccncc1
InChIInChI=1S/C18H14N2O3.C5H5N.Cu/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22;1-2-4-6-5-3-1;/h1-11,21-22H,(H,20,23);1-5H;/q;;+2/p-2/b19-11+;;
InChIKeyLNQQNVXUSMBJNX-KRYQRJNDSA-L
MW446.95 g/mol
LogP2.84
Rot. Bonds3

About copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine

copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine (PubChem CID 139069360) has the molecular formula C23H17CuN3O3 and a molecular weight of 446.95 g/mol. Its IUPAC name is copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine.

Molecular Properties

Compound Namecopper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine
PubChem CID139069360
Molecular FormulaC23H17CuN3O3
Molecular Weight446.95 g/mol
Exact Mass446.06
IUPAC Namecopper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine
SMILES[Cu+2].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1O.c1ccncc1
InChIInChI=1S/C18H14N2O3.C5H5N.Cu/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22;1-2-4-6-5-3-1;/h1-11,21-22H,(H,20,23);1-5H;/q;;+2/p-2/b19-11+;;
InChIKeyLNQQNVXUSMBJNX-KRYQRJNDSA-L
XLogP2.84
TPSA103.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 52.84
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

6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
4-[5-(Pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]benzene-1,2-diol
CID 25033660
4-[5-(Pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzene-1,2-diol
CID 25033728
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805
5-(6-Hydroxynaphthalene-2-yl)pyridin-3-ol
CID 24827431
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
2-(3-Pyridylmethyl)-1-naphthol
CID 15617838
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
4-(5-Pyridin-4-yl-7,8-dihydronaphthalen-2-yl)benzene-1,2-diol;hydrobromide
CID 25033659
4-(5-Pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diol;hydrobromide
CID 25033727

Frequently Asked Questions

What is the IUPAC name of copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine?
The IUPAC name of copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine (CID 139069360) is copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine.
What is the SMILES notation for copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine?
The canonical SMILES for copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine is [Cu+2].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1O.c1ccncc1.
What is the InChIKey of copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine?
The InChIKey is LNQQNVXUSMBJNX-KRYQRJNDSA-L. The full InChI is InChI=1S/C18H14N2O3.C5H5N.Cu/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22;1-2-4-6-5-3-1;/h1-11,21-22H,(H,20,23);1-5H;/q;;+2/p-2/b19-11+;;.
What are the key properties of copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine?
copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine has a molecular weight of 446.95 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;pyridine is sourced from PubChem (CID 139069360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).