zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)

C26H22N4O6Zn — CID 139054294

IUPACzinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)
SMILESO=[N+]([O-])/C=C(\[O-])c1ccccc1.O=[N+]([O-])/C=C(\[O-])c1ccccc1.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C8H7NO3.2C5H5N.Zn/c2*10-8(6-9(11)12)7-4-2-1-3-5-7;2*1-2-4-6-5-3-1;/h2*1-6,10H;2*1-5H;/q;;;;+2/p-2/b2*8-6-;;;
InChIKeyYSETYQIGQKODRE-ACNZPHJPSA-L
MW551.87 g/mol
LogP3.40
Rot. Bonds4

About zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)

zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine) (PubChem CID 139054294) has the molecular formula C26H22N4O6Zn and a molecular weight of 551.87 g/mol. Its IUPAC name is zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine).

Molecular Properties

Compound Namezinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)
PubChem CID139054294
Molecular FormulaC26H22N4O6Zn
Molecular Weight551.87 g/mol
Exact Mass550.08
IUPAC Namezinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)
SMILESO=[N+]([O-])/C=C(\[O-])c1ccccc1.O=[N+]([O-])/C=C(\[O-])c1ccccc1.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C8H7NO3.2C5H5N.Zn/c2*10-8(6-9(11)12)7-4-2-1-3-5-7;2*1-2-4-6-5-3-1;/h2*1-6,10H;2*1-5H;/q;;;;+2/p-2/b2*8-6-;;;
InChIKeyYSETYQIGQKODRE-ACNZPHJPSA-L
XLogP3.40
TPSA158.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.87
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper (NE,4Z)-N-[[4-(trifluoromethyl)phenyl]methylene]pyridine-4-carbohydrazonic acid
CID 9579361
nickelous (NE,4Z)-N-[[4-(trifluoromethyl)phenyl]methylene]pyridine-4-carbohydrazonic acid
CID 9579370
4-Pyridinecarboxaldehyde, O-(diphenylmethyl)oxime, monohydrochloride
CID 9578432
copper (NE,4Z)-N-[(3-fluorophenyl)methylene]pyridine-4-carbohydrazonic acid
CID 9579359
copper (NE,4Z)-N-[(2-fluorophenyl)methylene]pyridine-4-carbohydrazonic acid
CID 9579360
nickelous (NE,4Z)-N-[(2-fluorophenyl)methylene]pyridine-4-carbohydrazonic acid
CID 9579366
nickelous (NE,4Z)-N-[(3-fluorophenyl)methylene]pyridine-4-carbohydrazonic acid
CID 9579367
nickelous (NE,4Z)-N-[(4-fluorophenyl)methylene]pyridine-4-carbohydrazonic acid
CID 9579368
(1EZ,2E)-N-Benzyloxy-3-(4-fluorophenyl)-1-(pyridin-3-yl)prop-2-en-1-imine
CID 138858218
Fluoro pyridin-1-ium-1-yl trityl borate
CID 56990685
trans-2,3-Diphenyl-2,3-dihydropyrido[1,2-b][1,4,2]oxaselenazin-5-ium perchlorate
CID 129874068
1-(1,2-Diphenylethenoxy)pyridin-1-ium;palladium
CID 134840758

Frequently Asked Questions

What is the IUPAC name of zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)?
The IUPAC name of zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine) (CID 139054294) is zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine).
What is the SMILES notation for zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)?
The canonical SMILES for zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine) is O=[N+]([O-])/C=C(\[O-])c1ccccc1.O=[N+]([O-])/C=C(\[O-])c1ccccc1.[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)?
The InChIKey is YSETYQIGQKODRE-ACNZPHJPSA-L. The full InChI is InChI=1S/2C8H7NO3.2C5H5N.Zn/c2*10-8(6-9(11)12)7-4-2-1-3-5-7;2*1-2-4-6-5-3-1;/h2*1-6,10H;2*1-5H;/q;;;;+2/p-2/b2*8-6-;;;.
What are the key properties of zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)?
zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine) has a molecular weight of 551.87 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine) is sourced from PubChem (CID 139054294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).