iron;nickel;phosphane;phosphoric acid

H6FeNiO4P2 — CID 175517636

IUPACiron;nickel;phosphane;phosphoric acid
SMILESO=P(O)(O)O.P.[Fe].[Ni]
InChIInChI=1S/Fe.Ni.H3O4P.H3P/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H3
InChIKeyXBMGFCLFACNEDI-UHFFFAOYSA-N
MW246.53 g/mol
LogP-0.88
Rot. Bonds

About iron;nickel;phosphane;phosphoric acid

iron;nickel;phosphane;phosphoric acid (PubChem CID 175517636) has the molecular formula H6FeNiO4P2 and a molecular weight of 246.53 g/mol. Its IUPAC name is iron;nickel;phosphane;phosphoric acid.

Molecular Properties

Compound Nameiron;nickel;phosphane;phosphoric acid
PubChem CID175517636
Molecular FormulaH6FeNiO4P2
Molecular Weight246.53 g/mol
Exact Mass245.84
IUPAC Nameiron;nickel;phosphane;phosphoric acid
SMILESO=P(O)(O)O.P.[Fe].[Ni]
InChIInChI=1S/Fe.Ni.H3O4P.H3P/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H3
InChIKeyXBMGFCLFACNEDI-UHFFFAOYSA-N
XLogP-0.88
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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cobalt;iron;manganese;nickel;phosphoric acid
CID 174835824
nickel;phosphoric acid;rhenium
CID 173123463
phosphane;phosphoric acid;hexahydrochloride
CID 175124967
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CID 175145230
alumane;nickel;phosphoric acid
CID 173344357
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CID 174746557
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CID 174879359
iron;phosphoric acid;zinc
CID 159258122

Frequently Asked Questions

What is the IUPAC name of iron;nickel;phosphane;phosphoric acid?
The IUPAC name of iron;nickel;phosphane;phosphoric acid (CID 175517636) is iron;nickel;phosphane;phosphoric acid.
What is the SMILES notation for iron;nickel;phosphane;phosphoric acid?
The canonical SMILES for iron;nickel;phosphane;phosphoric acid is O=P(O)(O)O.P.[Fe].[Ni].
What is the InChIKey of iron;nickel;phosphane;phosphoric acid?
The InChIKey is XBMGFCLFACNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.Ni.H3O4P.H3P/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H3.
What are the key properties of iron;nickel;phosphane;phosphoric acid?
iron;nickel;phosphane;phosphoric acid has a molecular weight of 246.53 g/mol, XLogP of -0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron;nickel;phosphane;phosphoric acid is sourced from PubChem (CID 175517636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).