iron(2+);bis(pyridine-2-carboxylate)

C12H8FeN2O4 — CID 57376973

IUPACiron(2+);bis(pyridine-2-carboxylate)
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Fe+2]
InChIInChI=1S/2C6H5NO2.Fe/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2
InChIKeyLEAHKHRYYHGCAP-UHFFFAOYSA-L
MW300.05 g/mol
LogP-1.11
Rot. Bonds2

About iron(2+);bis(pyridine-2-carboxylate)

iron(2+);bis(pyridine-2-carboxylate) (PubChem CID 57376973) has the molecular formula C12H8FeN2O4 and a molecular weight of 300.05 g/mol. Its IUPAC name is iron(2+);bis(pyridine-2-carboxylate).

Molecular Properties

Compound Nameiron(2+);bis(pyridine-2-carboxylate)
PubChem CID57376973
Molecular FormulaC12H8FeN2O4
Molecular Weight300.05 g/mol
Exact Mass299.98
IUPAC Nameiron(2+);bis(pyridine-2-carboxylate)
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Fe+2]
InChIInChI=1S/2C6H5NO2.Fe/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2
InChIKeyLEAHKHRYYHGCAP-UHFFFAOYSA-L
XLogP-1.11
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.05
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 iron(2+);bis(pyridine-2-carboxylate)?
The IUPAC name of iron(2+);bis(pyridine-2-carboxylate) (CID 57376973) is iron(2+);bis(pyridine-2-carboxylate).
What is the SMILES notation for iron(2+);bis(pyridine-2-carboxylate)?
The canonical SMILES for iron(2+);bis(pyridine-2-carboxylate) is O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Fe+2].
What is the InChIKey of iron(2+);bis(pyridine-2-carboxylate)?
The InChIKey is LEAHKHRYYHGCAP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO2.Fe/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2.
What are the key properties of iron(2+);bis(pyridine-2-carboxylate)?
iron(2+);bis(pyridine-2-carboxylate) has a molecular weight of 300.05 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);bis(pyridine-2-carboxylate) is sourced from PubChem (CID 57376973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).