CID 162302481

C6FeK3N6Na — CID 162302481

IUPAC—
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[K].[K].[K].[Na]
InChIInChI=1S/6CN.Fe.3K.Na/c6*1-2;;;;;/q6*-1;+6;;;;
InChIKeyREKZOAZYCQAPNK-UHFFFAOYSA-N
MW352.24 g/mol
LogP-0.95
Rot. Bonds

About CID 162302481

CID 162302481 (PubChem CID 162302481) has the molecular formula C6FeK3N6Na and a molecular weight of 352.24 g/mol.

Molecular Properties

Compound NameCID 162302481
PubChem CID162302481
Molecular FormulaC6FeK3N6Na
Molecular Weight352.24 g/mol
Exact Mass351.83
IUPAC Name—
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[K].[K].[K].[Na]
InChIInChI=1S/6CN.Fe.3K.Na/c6*1-2;;;;;/q6*-1;+6;;;;
InChIKeyREKZOAZYCQAPNK-UHFFFAOYSA-N
XLogP-0.95
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 153313457
CID 153313457
CID 159905994
CID 159905994
iron(6+);hexacyanide;hydrate
CID 88713439
CID 159936196
CID 159936196
CID 160725252
CID 160725252
CID 134877915
CID 134877915
tripotassium;sodium;hydride;iron(6+);hexacyanide
CID 174602379
tripotassium;cerium;hydride;iron(6+);hexacyanide
CID 174557778
potassium;hydride;iron;iron(6+);hexacyanide
CID 173004482
titanium cyanide
CID 159591841
cyanide hydrate
CID 71367363
palladium(2+) tetracyanide
CID 12049713

Frequently Asked Questions

What is the IUPAC name of CID 162302481?
The IUPAC name of CID 162302481 (CID 162302481) is not available.
What is the SMILES notation for CID 162302481?
The canonical SMILES for CID 162302481 is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[K].[K].[K].[Na].
What is the InChIKey of CID 162302481?
The InChIKey is REKZOAZYCQAPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.Fe.3K.Na/c6*1-2;;;;;/q6*-1;+6;;;;.
What are the key properties of CID 162302481?
CID 162302481 has a molecular weight of 352.24 g/mol, XLogP of -0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162302481 is sourced from PubChem (CID 162302481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).