zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)

C26H20N2O2Zn — CID 139043842

IUPACzinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)
SMILES[O-]/C(=C\c1ccccn1)c1ccccc1.[O-]/C(=C\c1ccccn1)c1ccccc1.[Zn+2]
InChIInChI=1S/2C13H11NO.Zn/c2*15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;/h2*1-10,15H;/q;;+2/p-2/b2*13-10-;
InChIKeyREIBFLKOUGAEEO-UELGFSJDSA-L
MW457.85 g/mol
LogP3.88
Rot. Bonds4

About zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)

zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) (PubChem CID 139043842) has the molecular formula C26H20N2O2Zn and a molecular weight of 457.85 g/mol. Its IUPAC name is zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate).

Molecular Properties

Compound Namezinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)
PubChem CID139043842
Molecular FormulaC26H20N2O2Zn
Molecular Weight457.85 g/mol
Exact Mass456.08
IUPAC Namezinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)
SMILES[O-]/C(=C\c1ccccn1)c1ccccc1.[O-]/C(=C\c1ccccn1)c1ccccc1.[Zn+2]
InChIInChI=1S/2C13H11NO.Zn/c2*15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;/h2*1-10,15H;/q;;+2/p-2/b2*13-10-;
InChIKeyREIBFLKOUGAEEO-UELGFSJDSA-L
XLogP3.88
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
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3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
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4-Phenyl-1-(phenyl(pyridin-2-yl)methyl)piperidin-4-ol
CID 44426822
4-Phenyl-1-(phenyl(pyridin-3-yl)methyl)piperidin-4-ol
CID 44426823
(Z)-1-pyridin-4-yl-2-quinolin-2-ylethenol
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4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
2-(Benzyloxyiminomethyl)pyridine
CID 98778
4-(4-Phenyl-6-pyridin-3-yl-2-pyridinyl)phenol
CID 136086714
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715

Frequently Asked Questions

What is the IUPAC name of zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)?
The IUPAC name of zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) (CID 139043842) is zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate).
What is the SMILES notation for zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)?
The canonical SMILES for zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) is [O-]/C(=C\c1ccccn1)c1ccccc1.[O-]/C(=C\c1ccccn1)c1ccccc1.[Zn+2].
What is the InChIKey of zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)?
The InChIKey is REIBFLKOUGAEEO-UELGFSJDSA-L. The full InChI is InChI=1S/2C13H11NO.Zn/c2*15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;/h2*1-10,15H;/q;;+2/p-2/b2*13-10-;.
What are the key properties of zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate)?
zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) has a molecular weight of 457.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((Z)-1-phenyl-2-pyridin-2-ylethenolate) is sourced from PubChem (CID 139043842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).