copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)

C28H24CuN6O4 — CID 139069835

IUPACcopper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)
SMILESC/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.[Cu+2]
InChIInChI=1S/2C14H13N3O2.Cu/c2*1-10(12-7-4-5-9-15-12)16-17-14(19)11-6-2-3-8-13(11)18;/h2*2-9,18H,1H3,(H,17,19);/q;;+2/p-2/b2*16-10+;
InChIKeySTIQYFWPKUNHNK-JEFRERBXSA-L
MW572.08 g/mol
LogP2.63
Rot. Bonds6

About copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)

copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate) (PubChem CID 139069835) has the molecular formula C28H24CuN6O4 and a molecular weight of 572.08 g/mol. Its IUPAC name is copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate).

Molecular Properties

Compound Namecopper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)
PubChem CID139069835
Molecular FormulaC28H24CuN6O4
Molecular Weight572.08 g/mol
Exact Mass571.12
IUPAC Namecopper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)
SMILESC/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.[Cu+2]
InChIInChI=1S/2C14H13N3O2.Cu/c2*1-10(12-7-4-5-9-15-12)16-17-14(19)11-6-2-3-8-13(11)18;/h2*2-9,18H,1H3,(H,17,19);/q;;+2/p-2/b2*16-10+;
InChIKeySTIQYFWPKUNHNK-JEFRERBXSA-L
XLogP2.63
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.08
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
4-(4-Phenyl-6-pyridin-3-yl-2-pyridinyl)phenol
CID 136086714
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
3-[6-(3-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 122179982
2-[6-(3-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
4-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091039
2-[6-(3-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091041
3-(2-Phenyl-6-pyridin-2-yl-4-pyridinyl)phenol
CID 46887245
3-(2-Phenyl-6-pyridin-3-yl-4-pyridinyl)phenol
CID 46887246

Frequently Asked Questions

What is the IUPAC name of copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)?
The IUPAC name of copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate) (CID 139069835) is copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate).
What is the SMILES notation for copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)?
The canonical SMILES for copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate) is C/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.[Cu+2].
What is the InChIKey of copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)?
The InChIKey is STIQYFWPKUNHNK-JEFRERBXSA-L. The full InChI is InChI=1S/2C14H13N3O2.Cu/c2*1-10(12-7-4-5-9-15-12)16-17-14(19)11-6-2-3-8-13(11)18;/h2*2-9,18H,1H3,(H,17,19);/q;;+2/p-2/b2*16-10+;.
What are the key properties of copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)?
copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate) has a molecular weight of 572.08 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate) is sourced from PubChem (CID 139069835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).