iron;bis(1,10-phenanthroline-2-carboxylic acid)

C26H16FeN4O4 — CID 14491537

IUPACiron;bis(1,10-phenanthroline-2-carboxylic acid)
SMILESO=C(O)c1ccc2ccc3cccnc3c2n1.O=C(O)c1ccc2ccc3cccnc3c2n1.[Fe]
InChIInChI=1S/2C13H8N2O2.Fe/c2*16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h2*1-7H,(H,16,17);
InChIKeyRAZNMZHLZZMJJV-UHFFFAOYSA-N
MW504.28 g/mol
LogP4.96
Rot. Bonds2

About iron;bis(1,10-phenanthroline-2-carboxylic acid)

iron;bis(1,10-phenanthroline-2-carboxylic acid) (PubChem CID 14491537) has the molecular formula C26H16FeN4O4 and a molecular weight of 504.28 g/mol. Its IUPAC name is iron;bis(1,10-phenanthroline-2-carboxylic acid).

Molecular Properties

Compound Nameiron;bis(1,10-phenanthroline-2-carboxylic acid)
PubChem CID14491537
Molecular FormulaC26H16FeN4O4
Molecular Weight504.28 g/mol
Exact Mass504.05
IUPAC Nameiron;bis(1,10-phenanthroline-2-carboxylic acid)
SMILESO=C(O)c1ccc2ccc3cccnc3c2n1.O=C(O)c1ccc2ccc3cccnc3c2n1.[Fe]
InChIInChI=1S/2C13H8N2O2.Fe/c2*16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h2*1-7H,(H,16,17);
InChIKeyRAZNMZHLZZMJJV-UHFFFAOYSA-N
XLogP4.96
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.28
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(8-(3-Nitrophenyl)-(1,7)naphthyridin-6-yl)benzoic acid
CID 9999276
Nvp abe171
CID 9799389
2-([1,1'-Biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
CID 133107895
2,3-Bis(2-pyridyl)quinoxaline-6-carboxylic acid
CID 394188
6-(4-Carboxyphenyl)-8-(3-cyanophenyl)-1,7-naphthyridine
CID 9928390
5-(4-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252842
5-(3-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252992
5-(2-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252995
5-Phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253303
5-(3-Aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253460
5-(2-Methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57394444
5-[7-(Piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylic acid
CID 135300447

Frequently Asked Questions

What is the IUPAC name of iron;bis(1,10-phenanthroline-2-carboxylic acid)?
The IUPAC name of iron;bis(1,10-phenanthroline-2-carboxylic acid) (CID 14491537) is iron;bis(1,10-phenanthroline-2-carboxylic acid).
What is the SMILES notation for iron;bis(1,10-phenanthroline-2-carboxylic acid)?
The canonical SMILES for iron;bis(1,10-phenanthroline-2-carboxylic acid) is O=C(O)c1ccc2ccc3cccnc3c2n1.O=C(O)c1ccc2ccc3cccnc3c2n1.[Fe].
What is the InChIKey of iron;bis(1,10-phenanthroline-2-carboxylic acid)?
The InChIKey is RAZNMZHLZZMJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H8N2O2.Fe/c2*16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h2*1-7H,(H,16,17);.
What are the key properties of iron;bis(1,10-phenanthroline-2-carboxylic acid)?
iron;bis(1,10-phenanthroline-2-carboxylic acid) has a molecular weight of 504.28 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron;bis(1,10-phenanthroline-2-carboxylic acid) is sourced from PubChem (CID 14491537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).