zinc;bis(pyridin-2-amine);dibenzoate

C24H22N4O4Zn — CID 139057815

IUPACzinc;bis(pyridin-2-amine);dibenzoate
SMILESNc1ccccn1.Nc1ccccn1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Zn+2]
InChIInChI=1S/2C7H6O2.2C5H6N2.Zn/c2*8-7(9)6-4-2-1-3-5-6;2*6-5-3-1-2-4-7-5;/h2*1-5H,(H,8,9);2*1-4H,(H2,6,7);/q;;;;+2/p-2
InChIKeyLIEUWGOUBASORL-UHFFFAOYSA-L
MW495.85 g/mol
LogP1.43
Rot. Bonds2

About zinc;bis(pyridin-2-amine);dibenzoate

zinc;bis(pyridin-2-amine);dibenzoate (PubChem CID 139057815) has the molecular formula C24H22N4O4Zn and a molecular weight of 495.85 g/mol. Its IUPAC name is zinc;bis(pyridin-2-amine);dibenzoate.

Molecular Properties

Compound Namezinc;bis(pyridin-2-amine);dibenzoate
PubChem CID139057815
Molecular FormulaC24H22N4O4Zn
Molecular Weight495.85 g/mol
Exact Mass494.09
IUPAC Namezinc;bis(pyridin-2-amine);dibenzoate
SMILESNc1ccccn1.Nc1ccccn1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Zn+2]
InChIInChI=1S/2C7H6O2.2C5H6N2.Zn/c2*8-7(9)6-4-2-1-3-5-6;2*6-5-3-1-2-4-7-5;/h2*1-5H,(H,8,9);2*1-4H,(H2,6,7);/q;;;;+2/p-2
InChIKeyLIEUWGOUBASORL-UHFFFAOYSA-L
XLogP1.43
TPSA158.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.85
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;bis(pyridin-2-amine);dibenzoate?
The IUPAC name of zinc;bis(pyridin-2-amine);dibenzoate (CID 139057815) is zinc;bis(pyridin-2-amine);dibenzoate.
What is the SMILES notation for zinc;bis(pyridin-2-amine);dibenzoate?
The canonical SMILES for zinc;bis(pyridin-2-amine);dibenzoate is Nc1ccccn1.Nc1ccccn1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Zn+2].
What is the InChIKey of zinc;bis(pyridin-2-amine);dibenzoate?
The InChIKey is LIEUWGOUBASORL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.2C5H6N2.Zn/c2*8-7(9)6-4-2-1-3-5-6;2*6-5-3-1-2-4-7-5;/h2*1-5H,(H,8,9);2*1-4H,(H2,6,7);/q;;;;+2/p-2.
What are the key properties of zinc;bis(pyridin-2-amine);dibenzoate?
zinc;bis(pyridin-2-amine);dibenzoate has a molecular weight of 495.85 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(pyridin-2-amine);dibenzoate is sourced from PubChem (CID 139057815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).