cyanic acid;iron(2+)

CHFeNO+2 — CID 158320368

About cyanic acid;iron(2+)

cyanic acid;iron(2+) (PubChem CID 158320368) has the molecular formula CHFeNO+2 and a molecular weight of 98.87 g/mol. Its IUPAC name is cyanic acid;iron(2+).

Molecular Properties

• Compound Name: cyanic acid;iron(2+)
• PubChem CID: 158320368
• Molecular Formula: CHFeNO+2
• Molecular Weight: 98.87 g/mol
• Exact Mass: 98.94
• IUPAC Name: cyanic acid;iron(2+)
• SMILES: N#CO.[Fe+2]
• InChI: InChI=1S/CHNO.Fe/c2-1-3;/h3H;/q;+2
• InChIKey: GOTSDNHHJFZAEF-UHFFFAOYSA-N
• XLogP: -0.16
• TPSA: 44.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	98.87
LogP ≤ 5	-0.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyanic acid;iron(2+)?

The IUPAC name of cyanic acid;iron(2+) (CID 158320368) is cyanic acid;iron(2+).

What is the SMILES notation for cyanic acid;iron(2+)?

The canonical SMILES for cyanic acid;iron(2+) is N#CO.[Fe+2].

What is the InChIKey of cyanic acid;iron(2+)?

The InChIKey is GOTSDNHHJFZAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO.Fe/c2-1-3;/h3H;/q;+2.

What are the key properties of cyanic acid;iron(2+)?

cyanic acid;iron(2+) has a molecular weight of 98.87 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyanic acid;iron(2+) is sourced from PubChem (CID 158320368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).