zinc;2-pyridin-2-ylpyridine;dibenzoate

C24H18N2O4Zn — CID 139070674

IUPACzinc;2-pyridin-2-ylpyridine;dibenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Zn+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C7H6O2.Zn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-7(9)6-4-2-1-3-5-6;/h1-8H;2*1-5H,(H,8,9);/q;;;+2/p-2
InChIKeyLKYYYNTVFDLCIC-UHFFFAOYSA-L
MW463.81 g/mol
LogP2.24
Rot. Bonds3

About zinc;2-pyridin-2-ylpyridine;dibenzoate

zinc;2-pyridin-2-ylpyridine;dibenzoate (PubChem CID 139070674) has the molecular formula C24H18N2O4Zn and a molecular weight of 463.81 g/mol. Its IUPAC name is zinc;2-pyridin-2-ylpyridine;dibenzoate.

Molecular Properties

Compound Namezinc;2-pyridin-2-ylpyridine;dibenzoate
PubChem CID139070674
Molecular FormulaC24H18N2O4Zn
Molecular Weight463.81 g/mol
Exact Mass462.06
IUPAC Namezinc;2-pyridin-2-ylpyridine;dibenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Zn+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C7H6O2.Zn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-7(9)6-4-2-1-3-5-6;/h1-8H;2*1-5H,(H,8,9);/q;;;+2/p-2
InChIKeyLKYYYNTVFDLCIC-UHFFFAOYSA-L
XLogP2.24
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.81
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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phenyl(2-pyridinyl)methanone O-(2-methylbenzoyl)oxime
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phenyl(2-pyridinyl)methanone O-1-naphthoyloxime
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phenyl(4-pyridinyl)methanone O-(3-methylbenzoyl)oxime
CID 5337792
(Z)-[Phenyl(pyridin-4-YL)methylidene]amino 3-fluorobenzoate
CID 9622301
(4-methylphenyl)({[(E)-phenyl(pyridin-4-yl)methylidene]amino}oxy)methanone
CID 9665232
Sodium; 3-benzoyl-2-phenyl-indolizine-7-carboxylate
CID 16682454
Picolinic acid, 5-butyl-, calcium salt
CID 134800
Copper(2+) benzoate--3-(1-methylpyrrolidin-2-yl)pyridine (1/2/1)
CID 3048881
(E)-[Phenyl(pyridin-4-YL)methylidene]amino 2-fluorobenzoate
CID 5400989
(3-methylphenyl)({[(E)-phenyl(pyridin-3-yl)methylidene]amino}oxy)methanone
CID 9606053

Frequently Asked Questions

What is the IUPAC name of zinc;2-pyridin-2-ylpyridine;dibenzoate?
The IUPAC name of zinc;2-pyridin-2-ylpyridine;dibenzoate (CID 139070674) is zinc;2-pyridin-2-ylpyridine;dibenzoate.
What is the SMILES notation for zinc;2-pyridin-2-ylpyridine;dibenzoate?
The canonical SMILES for zinc;2-pyridin-2-ylpyridine;dibenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Zn+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of zinc;2-pyridin-2-ylpyridine;dibenzoate?
The InChIKey is LKYYYNTVFDLCIC-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.2C7H6O2.Zn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-7(9)6-4-2-1-3-5-6;/h1-8H;2*1-5H,(H,8,9);/q;;;+2/p-2.
What are the key properties of zinc;2-pyridin-2-ylpyridine;dibenzoate?
zinc;2-pyridin-2-ylpyridine;dibenzoate has a molecular weight of 463.81 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-pyridin-2-ylpyridine;dibenzoate is sourced from PubChem (CID 139070674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).