bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate)

C30H30Fe2N6O11 — CID 139120421

IUPACbis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Fe+3].[Fe+3].[O-2]
InChIInChI=1S/4C6H5NO2.2C3H7NO.2Fe.O/c4*8-6(9)5-3-1-2-4-7-5;2*1-4(2)3-5;;;/h4*1-4H,(H,8,9);2*3H,1-2H3;;;/q;;;;;;2*+3;-2/p-4
InChIKeyAKTHDGWAEFOYHG-UHFFFAOYSA-J
MW762.29 g/mol
LogP-2.93
Rot. Bonds6

About bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate)

bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate) (PubChem CID 139120421) has the molecular formula C30H30Fe2N6O11 and a molecular weight of 762.29 g/mol. Its IUPAC name is bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate).

Molecular Properties

Compound Namebis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate)
PubChem CID139120421
Molecular FormulaC30H30Fe2N6O11
Molecular Weight762.29 g/mol
Exact Mass762.07
IUPAC Namebis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Fe+3].[Fe+3].[O-2]
InChIInChI=1S/4C6H5NO2.2C3H7NO.2Fe.O/c4*8-6(9)5-3-1-2-4-7-5;2*1-4(2)3-5;;;/h4*1-4H,(H,8,9);2*3H,1-2H3;;;/q;;;;;;2*+3;-2/p-4
InChIKeyAKTHDGWAEFOYHG-UHFFFAOYSA-J
XLogP-2.93
TPSA281.20 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.29
LogP ≤ 5-2.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

Chromium tripicolinate
CID 56840998
tris(pyridine-2-carboxylato-kappa(2)N,O)chromium
CID 24883444
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 159992137
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(iridium);iridium(3+);2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(2-phenylpyridine);bis(pyridine-2-carboxylic acid)
CID 161077646
Ru(II)(bda)(pic)2
CID 56835790
Calcium-dipicolinat-sesquihydrat
CID 129655071
Copper tetrapyridinate
CID 129759812
Molybdenum;tetrakis(pyridine-2-carboxylic acid)
CID 129777856
Ru(II)(bda)(pic)2NH3
CID 138455540
[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate
CID 139056803
Tris(5-butylpyridine-2-carboxylate);iron(3+)
CID 139058692
tetrakis(iron(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);tetrakis(pyridine-2,6-dicarboxylate)
CID 139064669

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate)?
The IUPAC name of bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate) (CID 139120421) is bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate).
What is the SMILES notation for bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate)?
The canonical SMILES for bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate) is CN(C)C=O.CN(C)C=O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Fe+3].[Fe+3].[O-2].
What is the InChIKey of bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate)?
The InChIKey is AKTHDGWAEFOYHG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6H5NO2.2C3H7NO.2Fe.O/c4*8-6(9)5-3-1-2-4-7-5;2*1-4(2)3-5;;;/h4*1-4H,(H,8,9);2*3H,1-2H3;;;/q;;;;;;2*+3;-2/p-4.
What are the key properties of bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate)?
bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate) has a molecular weight of 762.29 g/mol, XLogP of -2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylformamide);bis(iron(3+));oxygen(2-);tetrakis(pyridine-2-carboxylate) is sourced from PubChem (CID 139120421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).