4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium

C7H5NO5Tb — CID 87158444

IUPAC4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium
SMILESO=C(O)c1cc(=O)cc(C(=O)O)[nH]1.[Tb]
InChIInChI=1S/C7H5NO5.Tb/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);
InChIKeyGWJWBXVAJJOIRO-UHFFFAOYSA-N
MW342.04 g/mol
LogP-0.23
Rot. Bonds2

About 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium

4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium (PubChem CID 87158444) has the molecular formula C7H5NO5Tb and a molecular weight of 342.04 g/mol. Its IUPAC name is 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium.

Molecular Properties

Compound Name4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium
PubChem CID87158444
Molecular FormulaC7H5NO5Tb
Molecular Weight342.04 g/mol
Exact Mass341.94
IUPAC Name4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium
SMILESO=C(O)c1cc(=O)cc(C(=O)O)[nH]1.[Tb]
InChIInChI=1S/C7H5NO5.Tb/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);
InChIKeyGWJWBXVAJJOIRO-UHFFFAOYSA-N
XLogP-0.23
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.04
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium?
The IUPAC name of 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium (CID 87158444) is 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium.
What is the SMILES notation for 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium?
The canonical SMILES for 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium is O=C(O)c1cc(=O)cc(C(=O)O)[nH]1.[Tb].
What is the InChIKey of 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium?
The InChIKey is GWJWBXVAJJOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5.Tb/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);.
What are the key properties of 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium?
4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium has a molecular weight of 342.04 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-pyridine-2,6-dicarboxylic acid;terbium is sourced from PubChem (CID 87158444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).