tetrakis(2-carboxypyridin-3-olate);iridium

C24H16IrN4O12-4 — CID 173055687

IUPACtetrakis(2-carboxypyridin-3-olate);iridium
SMILESO=C(O)c1ncccc1[O-].O=C(O)c1ncccc1[O-].O=C(O)c1ncccc1[O-].O=C(O)c1ncccc1[O-].[Ir]
InChIInChI=1S/4C6H5NO3.Ir/c4*8-4-2-1-3-7-5(4)6(9)10;/h4*1-3,8H,(H,9,10);/p-4
InChIKeyNWBGRLISBBMIDY-UHFFFAOYSA-J
MW744.63 g/mol
LogP-0.59
Rot. Bonds4

About tetrakis(2-carboxypyridin-3-olate);iridium

tetrakis(2-carboxypyridin-3-olate);iridium (PubChem CID 173055687) has the molecular formula C24H16IrN4O12-4 and a molecular weight of 744.63 g/mol. Its IUPAC name is tetrakis(2-carboxypyridin-3-olate);iridium.

Molecular Properties

Compound Nametetrakis(2-carboxypyridin-3-olate);iridium
PubChem CID173055687
Molecular FormulaC24H16IrN4O12-4
Molecular Weight744.63 g/mol
Exact Mass745.04
IUPAC Nametetrakis(2-carboxypyridin-3-olate);iridium
SMILESO=C(O)c1ncccc1[O-].O=C(O)c1ncccc1[O-].O=C(O)c1ncccc1[O-].O=C(O)c1ncccc1[O-].[Ir]
InChIInChI=1S/4C6H5NO3.Ir/c4*8-4-2-1-3-7-5(4)6(9)10;/h4*1-3,8H,(H,9,10);/p-4
InChIKeyNWBGRLISBBMIDY-UHFFFAOYSA-J
XLogP-0.59
TPSA293.00 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.63
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid
CID 154631764
3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 66742288
3-oxalopyridine-2-carboxylic acid
CID 15639413
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
3-phenylpyridine-2-carboxylic acid
CID 2762789
3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
CID 90154501
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-carboxypyridin-3-olate);iridium?
The IUPAC name of tetrakis(2-carboxypyridin-3-olate);iridium (CID 173055687) is tetrakis(2-carboxypyridin-3-olate);iridium.
What is the SMILES notation for tetrakis(2-carboxypyridin-3-olate);iridium?
The canonical SMILES for tetrakis(2-carboxypyridin-3-olate);iridium is O=C(O)c1ncccc1[O-].O=C(O)c1ncccc1[O-].O=C(O)c1ncccc1[O-].O=C(O)c1ncccc1[O-].[Ir].
What is the InChIKey of tetrakis(2-carboxypyridin-3-olate);iridium?
The InChIKey is NWBGRLISBBMIDY-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6H5NO3.Ir/c4*8-4-2-1-3-7-5(4)6(9)10;/h4*1-3,8H,(H,9,10);/p-4.
What are the key properties of tetrakis(2-carboxypyridin-3-olate);iridium?
tetrakis(2-carboxypyridin-3-olate);iridium has a molecular weight of 744.63 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-carboxypyridin-3-olate);iridium is sourced from PubChem (CID 173055687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).