bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+)

C26H20FeN6O4 — CID 139181447

IUPACbis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+)
SMILES[Fe+2].[O-]/C(=N\N=C\c1ccccn1)c1ccc(O)cc1.[O-]/C(=N\N=C\c1ccccn1)c1ccc(O)cc1
InChIInChI=1S/2C13H11N3O2.Fe/c2*17-12-6-4-10(5-7-12)13(18)16-15-9-11-3-1-2-8-14-11;/h2*1-9,17H,(H,16,18);/q;;+2/p-2/b2*15-9+;
InChIKeyLGNPODAECSZMRM-CGZWKZIFSA-L
MW536.33 g/mol
LogP1.85
Rot. Bonds6

About bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+)

bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+) (PubChem CID 139181447) has the molecular formula C26H20FeN6O4 and a molecular weight of 536.33 g/mol. Its IUPAC name is bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+).

Molecular Properties

Compound Namebis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+)
PubChem CID139181447
Molecular FormulaC26H20FeN6O4
Molecular Weight536.33 g/mol
Exact Mass536.09
IUPAC Namebis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+)
SMILES[Fe+2].[O-]/C(=N\N=C\c1ccccn1)c1ccc(O)cc1.[O-]/C(=N\N=C\c1ccccn1)c1ccc(O)cc1
InChIInChI=1S/2C13H11N3O2.Fe/c2*17-12-6-4-10(5-7-12)13(18)16-15-9-11-3-1-2-8-14-11;/h2*1-9,17H,(H,16,18);/q;;+2/p-2/b2*15-9+;
InChIKeyLGNPODAECSZMRM-CGZWKZIFSA-L
XLogP1.85
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
3-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091038
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

Frequently Asked Questions

What is the IUPAC name of bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+)?
The IUPAC name of bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+) (CID 139181447) is bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+).
What is the SMILES notation for bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+)?
The canonical SMILES for bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+) is [Fe+2].[O-]/C(=N\N=C\c1ccccn1)c1ccc(O)cc1.[O-]/C(=N\N=C\c1ccccn1)c1ccc(O)cc1.
What is the InChIKey of bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+)?
The InChIKey is LGNPODAECSZMRM-CGZWKZIFSA-L. The full InChI is InChI=1S/2C13H11N3O2.Fe/c2*17-12-6-4-10(5-7-12)13(18)16-15-9-11-3-1-2-8-14-11;/h2*1-9,17H,(H,16,18);/q;;+2/p-2/b2*15-9+;.
What are the key properties of bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+)?
bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+) has a molecular weight of 536.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((NE,1Z)-4-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);iron(2+) is sourced from PubChem (CID 139181447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).