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

C7H7NNa2O5 — CID 173367138

IUPACdisodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(=O)cc(C(=O)O)[nH]1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C7H5NO5.2Na.2H/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*+1;2*-1
InChIKeyNRMOJMNYZRVUAO-UHFFFAOYSA-N
MW231.11 g/mol
LogP-6.00
Rot. Bonds2

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

disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid (PubChem CID 173367138) has the molecular formula C7H7NNa2O5 and a molecular weight of 231.11 g/mol. Its IUPAC name is disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Namedisodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid
PubChem CID173367138
Molecular FormulaC7H7NNa2O5
Molecular Weight231.11 g/mol
Exact Mass231.01
IUPAC Namedisodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(=O)cc(C(=O)O)[nH]1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C7H5NO5.2Na.2H/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*+1;2*-1
InChIKeyNRMOJMNYZRVUAO-UHFFFAOYSA-N
XLogP-6.00
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 5-6.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The IUPAC name of disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid (CID 173367138) is disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The canonical SMILES for disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid is O=C(O)c1cc(=O)cc(C(=O)O)[nH]1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The InChIKey is NRMOJMNYZRVUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5.2Na.2H/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*+1;2*-1.
What are the key properties of disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid has a molecular weight of 231.11 g/mol, XLogP of -6.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;4-oxo-1H-pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 173367138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).