bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+)

C28H24N6NiO4 — CID 139070223

IUPACbis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+)
SMILESC/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.[Ni+2]
InChIInChI=1S/2C14H13N3O2.Ni/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+;
InChIKeyUYDMGYHZMJDUBU-JEFRERBXSA-L
MW567.23 g/mol
LogP2.63
Rot. Bonds6

About bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+)

bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+) (PubChem CID 139070223) has the molecular formula C28H24N6NiO4 and a molecular weight of 567.23 g/mol. Its IUPAC name is bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+).

Molecular Properties

Compound Namebis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+)
PubChem CID139070223
Molecular FormulaC28H24N6NiO4
Molecular Weight567.23 g/mol
Exact Mass566.12
IUPAC Namebis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+)
SMILESC/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.[Ni+2]
InChIInChI=1S/2C14H13N3O2.Ni/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+;
InChIKeyUYDMGYHZMJDUBU-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 ≤ 500567.23
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 bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+)?
The IUPAC name of bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+) (CID 139070223) is bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+).
What is the SMILES notation for bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+)?
The canonical SMILES for bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+) is C/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.C/C(=N\N=C(/[O-])c1ccccc1O)c1ccccn1.[Ni+2].
What is the InChIKey of bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+)?
The InChIKey is UYDMGYHZMJDUBU-JEFRERBXSA-L. The full InChI is InChI=1S/2C14H13N3O2.Ni/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 bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+)?
bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+) has a molecular weight of 567.23 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 bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);nickel(2+) is sourced from PubChem (CID 139070223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).