CID 155907171

C5FeN6Na2O+ — CID 155907171

IUPAC—
SMILESN#[O+].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].[Na].[Na]
InChIInChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q5*-1;+5;+1;;
InChIKeyISXWLPLYKIRYSW-UHFFFAOYSA-N
MW261.92 g/mol
LogP-0.39
Rot. Bonds

About CID 155907171

CID 155907171 (PubChem CID 155907171) has the molecular formula C5FeN6Na2O+ and a molecular weight of 261.92 g/mol.

Molecular Properties

Compound NameCID 155907171
PubChem CID155907171
Molecular FormulaC5FeN6Na2O+
Molecular Weight261.92 g/mol
Exact Mass261.93
IUPAC Name—
SMILESN#[O+].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].[Na].[Na]
InChIInChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q5*-1;+5;+1;;
InChIKeyISXWLPLYKIRYSW-UHFFFAOYSA-N
XLogP-0.39
TPSA162.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.92
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 159905994
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CID 153313457
disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate
CID 73415791
CID 162302481
CID 162302481
carbon monoxide;tungsten;cyanide
CID 5239010
zinc bis((15N)azanylidyne(113C)methane)
CID 71309451
chromium cyanide
CID 172741704
chromium(3+) tricyanide
CID 14818425
palladium(2+) tetracyanide
CID 12049713
cyanide hydrate
CID 71367363
dipotassium;tetracyanide
CID 172816022
iridium tricyanide
CID 148548482

Frequently Asked Questions

What is the IUPAC name of CID 155907171?
The IUPAC name of CID 155907171 (CID 155907171) is not available.
What is the SMILES notation for CID 155907171?
The canonical SMILES for CID 155907171 is N#[O+].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].[Na].[Na].
What is the InChIKey of CID 155907171?
The InChIKey is ISXWLPLYKIRYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q5*-1;+5;+1;;.
What are the key properties of CID 155907171?
CID 155907171 has a molecular weight of 261.92 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155907171 is sourced from PubChem (CID 155907171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).