chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate

C7H3CrNO5 — CID 10376672

IUPACchromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate
SMILESO=C([O-])c1cc(=O)cc(C(=O)[O-])[nH]1.[Cr+2]
InChIInChI=1S/C7H5NO5.Cr/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;/h1-2H,(H,8,9)(H,10,11)(H,12,13);/q;+2/p-2
InChIKeyZRSSUFKUSRSRER-UHFFFAOYSA-L
MW233.10 g/mol
LogP-2.90
Rot. Bonds2

About chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate

chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate (PubChem CID 10376672) has the molecular formula C7H3CrNO5 and a molecular weight of 233.10 g/mol. Its IUPAC name is chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namechromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate
PubChem CID10376672
Molecular FormulaC7H3CrNO5
Molecular Weight233.10 g/mol
Exact Mass232.94
IUPAC Namechromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate
SMILESO=C([O-])c1cc(=O)cc(C(=O)[O-])[nH]1.[Cr+2]
InChIInChI=1S/C7H5NO5.Cr/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;/h1-2H,(H,8,9)(H,10,11)(H,12,13);/q;+2/p-2
InChIKeyZRSSUFKUSRSRER-UHFFFAOYSA-L
XLogP-2.90
TPSA113.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 5-2.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate?
The IUPAC name of chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate (CID 10376672) is chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate.
What is the SMILES notation for chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate?
The canonical SMILES for chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate is O=C([O-])c1cc(=O)cc(C(=O)[O-])[nH]1.[Cr+2].
What is the InChIKey of chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate?
The InChIKey is ZRSSUFKUSRSRER-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H5NO5.Cr/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;/h1-2H,(H,8,9)(H,10,11)(H,12,13);/q;+2/p-2.
What are the key properties of chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate?
chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate has a molecular weight of 233.10 g/mol, XLogP of -2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);4-oxo-1H-pyridine-2,6-dicarboxylate is sourced from PubChem (CID 10376672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).