bis(2H-pyridin-2-ide);zirconium(2+)

C10H8N2Zr — CID 174732316

IUPACbis(2H-pyridin-2-ide);zirconium(2+)
SMILES[Zr+2].[c-]1ccccn1.[c-]1ccccn1
InChIInChI=1S/2C5H4N.Zr/c2*1-2-4-6-5-3-1;/h2*1-4H;/q2*-1;+2
InChIKeyFCGRFLDGOPXXNM-UHFFFAOYSA-N
MW247.41 g/mol
LogP1.76
Rot. Bonds

About bis(2H-pyridin-2-ide);zirconium(2+)

bis(2H-pyridin-2-ide);zirconium(2+) (PubChem CID 174732316) has the molecular formula C10H8N2Zr and a molecular weight of 247.41 g/mol. Its IUPAC name is bis(2H-pyridin-2-ide);zirconium(2+).

Molecular Properties

Compound Namebis(2H-pyridin-2-ide);zirconium(2+)
PubChem CID174732316
Molecular FormulaC10H8N2Zr
Molecular Weight247.41 g/mol
Exact Mass245.97
IUPAC Namebis(2H-pyridin-2-ide);zirconium(2+)
SMILES[Zr+2].[c-]1ccccn1.[c-]1ccccn1
InChIInChI=1S/2C5H4N.Zr/c2*1-2-4-6-5-3-1;/h2*1-4H;/q2*-1;+2
InChIKeyFCGRFLDGOPXXNM-UHFFFAOYSA-N
XLogP1.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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chloronickel;2H-pyridin-2-ide
CID 175247083
zinc;propane;2H-pyridin-2-ide;hydrochloride
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butane;platinum(2+);bis(2H-pyridin-2-ide);dichloride
CID 87932541
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Frequently Asked Questions

What is the IUPAC name of bis(2H-pyridin-2-ide);zirconium(2+)?
The IUPAC name of bis(2H-pyridin-2-ide);zirconium(2+) (CID 174732316) is bis(2H-pyridin-2-ide);zirconium(2+).
What is the SMILES notation for bis(2H-pyridin-2-ide);zirconium(2+)?
The canonical SMILES for bis(2H-pyridin-2-ide);zirconium(2+) is [Zr+2].[c-]1ccccn1.[c-]1ccccn1.
What is the InChIKey of bis(2H-pyridin-2-ide);zirconium(2+)?
The InChIKey is FCGRFLDGOPXXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N.Zr/c2*1-2-4-6-5-3-1;/h2*1-4H;/q2*-1;+2.
What are the key properties of bis(2H-pyridin-2-ide);zirconium(2+)?
bis(2H-pyridin-2-ide);zirconium(2+) has a molecular weight of 247.41 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2H-pyridin-2-ide);zirconium(2+) is sourced from PubChem (CID 174732316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).