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

C10H8FeN2 — CID 23320384

IUPACiron(2+);bis(2H-pyridin-2-ide)
SMILES[Fe+2].[c-]1ccccn1.[c-]1ccccn1
InChIInChI=1S/2C5H4N.Fe/c2*1-2-4-6-5-3-1;/h2*1-4H;/q2*-1;+2
InChIKeyQGVRUTWJPDANGU-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.76
Rot. Bonds

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

iron(2+);bis(2H-pyridin-2-ide) (PubChem CID 23320384) has the molecular formula C10H8FeN2 and a molecular weight of 212.03 g/mol. Its IUPAC name is iron(2+);bis(2H-pyridin-2-ide).

Molecular Properties

Compound Nameiron(2+);bis(2H-pyridin-2-ide)
PubChem CID23320384
Molecular FormulaC10H8FeN2
Molecular Weight212.03 g/mol
Exact Mass212.00
IUPAC Nameiron(2+);bis(2H-pyridin-2-ide)
SMILES[Fe+2].[c-]1ccccn1.[c-]1ccccn1
InChIInChI=1S/2C5H4N.Fe/c2*1-2-4-6-5-3-1;/h2*1-4H;/q2*-1;+2
InChIKeyQGVRUTWJPDANGU-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 ≤ 500212.03
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(2H-pyridin-2-ide)?
The IUPAC name of iron(2+);bis(2H-pyridin-2-ide) (CID 23320384) is iron(2+);bis(2H-pyridin-2-ide).
What is the SMILES notation for iron(2+);bis(2H-pyridin-2-ide)?
The canonical SMILES for iron(2+);bis(2H-pyridin-2-ide) is [Fe+2].[c-]1ccccn1.[c-]1ccccn1.
What is the InChIKey of iron(2+);bis(2H-pyridin-2-ide)?
The InChIKey is QGVRUTWJPDANGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N.Fe/c2*1-2-4-6-5-3-1;/h2*1-4H;/q2*-1;+2.
What are the key properties of iron(2+);bis(2H-pyridin-2-ide)?
iron(2+);bis(2H-pyridin-2-ide) has a molecular weight of 212.03 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 iron(2+);bis(2H-pyridin-2-ide) is sourced from PubChem (CID 23320384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).