dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate

C22H26N10O12Zn2 — CID 139041347

IUPACdizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate
SMILESCc1cc(C)n(Cc2ccccn2)n1.Cc1cc(C)n(Cc2ccccn2)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C11H13N3.4NO3.2Zn/c2*1-9-7-10(2)14(13-9)8-11-5-3-4-6-12-11;4*2-1(3)4;;/h2*3-7H,8H2,1-2H3;;;;;;/q;;4*-1;2*+2
InChIKeyJGUMXSVWZQDZAH-UHFFFAOYSA-N
MW753.29 g/mol
LogP2.93
Rot. Bonds4

About dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate

dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate (PubChem CID 139041347) has the molecular formula C22H26N10O12Zn2 and a molecular weight of 753.29 g/mol. Its IUPAC name is dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate.

Molecular Properties

Compound Namedizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate
PubChem CID139041347
Molecular FormulaC22H26N10O12Zn2
Molecular Weight753.29 g/mol
Exact Mass750.03
IUPAC Namedizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate
SMILESCc1cc(C)n(Cc2ccccn2)n1.Cc1cc(C)n(Cc2ccccn2)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C11H13N3.4NO3.2Zn/c2*1-9-7-10(2)14(13-9)8-11-5-3-4-6-12-11;4*2-1(3)4;;/h2*3-7H,8H2,1-2H3;;;;;;/q;;4*-1;2*+2
InChIKeyJGUMXSVWZQDZAH-UHFFFAOYSA-N
XLogP2.93
TPSA326.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'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

Iron(2+);2-(pyrazol-1-ylmethyl)-6-[6-(pyrazol-1-ylmethyl)-2-pyridinyl]pyridine;bis(trifluoromethanesulfonate)
CID 139129036
2,6-Bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine
CID 5241983
5-[(3-Pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine
CID 102517782
Ammine(2,2'-bipyridine-kappa^2^N,N')silver(I) nitrate
CID 139060871
Bis(2,2'-bipyridine)nitratocopper(II) nitrate
CID 139067352
bis(2,2'-bipyridine)(nitrato-kappa^2^O,O')cobalt(III) hydroxide nitrate tetrahydrate
CID 139073655
Bis(lead(2+));bis(2-methyl-6-pyridin-2-ylpyridine);tetranitrate
CID 139077387
Bis(2,2'-bipyridine-kappa^2^N,N')(nitrato-kappaO)copper(II) perchlorate
CID 139080707
Bis{2-[bis(3,5-dimethyl-1H-pyrazol-1-yl-kappaN^2^)methyl]pyridine-kappaN}copper(II) dinitrate
CID 139082457
Bis{2-[bis(3,5-dimethyl-1H-pyrazol-1-yl-kappaN^2^)methyl]pyridine-kappaN}cobalt(II) dinitrate
CID 139083913
Copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate
CID 139146365
Copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate
CID 139153785

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate?
The IUPAC name of dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate (CID 139041347) is dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate.
What is the SMILES notation for dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate?
The canonical SMILES for dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate is Cc1cc(C)n(Cc2ccccn2)n1.Cc1cc(C)n(Cc2ccccn2)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate?
The InChIKey is JGUMXSVWZQDZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13N3.4NO3.2Zn/c2*1-9-7-10(2)14(13-9)8-11-5-3-4-6-12-11;4*2-1(3)4;;/h2*3-7H,8H2,1-2H3;;;;;;/q;;4*-1;2*+2.
What are the key properties of dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate?
dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate has a molecular weight of 753.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate is sourced from PubChem (CID 139041347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).