cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate

C8H13CoFeNO6+3 — CID 46848009

IUPACcobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate
SMILESCN(C)C=O.O.O=C(O)c1ccco1.[Co+2].[Fe+3].[O-2]
InChIInChI=1S/C5H4O3.C3H7NO.Co.Fe.H2O.O/c6-5(7)4-2-1-3-8-4;1-4(2)3-5;;;;/h1-3H,(H,6,7);3H,1-2H3;;;1H2;/q;;+2;+3;;-2
InChIKeyIHPGBYJOASNGEZ-UHFFFAOYSA-N
MW333.97 g/mol
LogP-0.27
Rot. Bonds2

About cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate

cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate (PubChem CID 46848009) has the molecular formula C8H13CoFeNO6+3 and a molecular weight of 333.97 g/mol. Its IUPAC name is cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate.

Molecular Properties

Compound Namecobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate
PubChem CID46848009
Molecular FormulaC8H13CoFeNO6+3
Molecular Weight333.97 g/mol
Exact Mass333.94
IUPAC Namecobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate
SMILESCN(C)C=O.O.O=C(O)c1ccco1.[Co+2].[Fe+3].[O-2]
InChIInChI=1S/C5H4O3.C3H7NO.Co.Fe.H2O.O/c6-5(7)4-2-1-3-8-4;1-4(2)3-5;;;;/h1-3H,(H,6,7);3H,1-2H3;;;1H2;/q;;+2;+3;;-2
InChIKeyIHPGBYJOASNGEZ-UHFFFAOYSA-N
XLogP-0.27
TPSA130.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.97
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

furan-2-carboxylic acid;methanol
CID 70611195
furan-2-carboxylic acid;methanamine
CID 82372767
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
furan-2-carboxylic acid;hexane
CID 157215891
furan-2-carboxylic acid;pyrazine
CID 158159204
copper;bis(furan-2-carboxylate);furan-2-carboxylic acid
CID 158113396
1,4-dioxocine-5-carboxylic acid
CID 144848843
furan-2-carbonyl(methyl)carbamic acid;hydrochloride
CID 70634147
N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide
CID 43463653

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate?
The IUPAC name of cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate (CID 46848009) is cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate.
What is the SMILES notation for cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate?
The canonical SMILES for cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate is CN(C)C=O.O.O=C(O)c1ccco1.[Co+2].[Fe+3].[O-2].
What is the InChIKey of cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate?
The InChIKey is IHPGBYJOASNGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O3.C3H7NO.Co.Fe.H2O.O/c6-5(7)4-2-1-3-8-4;1-4(2)3-5;;;;/h1-3H,(H,6,7);3H,1-2H3;;;1H2;/q;;+2;+3;;-2.
What are the key properties of cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate?
cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate has a molecular weight of 333.97 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate is sourced from PubChem (CID 46848009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).