disodium;pyridine-2,6-dicarboxylate

C7H3NNa2O4 — CID 3015002

IUPACdisodium;pyridine-2,6-dicarboxylate
SMILESO=C([O-])c1cccc(C(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C7H5NO4.2Na/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-3H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyUXIGLKSQMPZUGZ-UHFFFAOYSA-L
MW211.08 g/mol
LogP-8.18
Rot. Bonds2

About disodium;pyridine-2,6-dicarboxylate

disodium;pyridine-2,6-dicarboxylate (PubChem CID 3015002) has the molecular formula C7H3NNa2O4 and a molecular weight of 211.08 g/mol. Its IUPAC name is disodium;pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedisodium;pyridine-2,6-dicarboxylate
PubChem CID3015002
Molecular FormulaC7H3NNa2O4
Molecular Weight211.08 g/mol
Exact Mass210.99
IUPAC Namedisodium;pyridine-2,6-dicarboxylate
SMILESO=C([O-])c1cccc(C(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C7H5NO4.2Na/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-3H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyUXIGLKSQMPZUGZ-UHFFFAOYSA-L
XLogP-8.18
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.08
LogP ≤ 5-8.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of disodium;pyridine-2,6-dicarboxylate?
The IUPAC name of disodium;pyridine-2,6-dicarboxylate (CID 3015002) is disodium;pyridine-2,6-dicarboxylate.
What is the SMILES notation for disodium;pyridine-2,6-dicarboxylate?
The canonical SMILES for disodium;pyridine-2,6-dicarboxylate is O=C([O-])c1cccc(C(=O)[O-])n1.[Na+].[Na+].
What is the InChIKey of disodium;pyridine-2,6-dicarboxylate?
The InChIKey is UXIGLKSQMPZUGZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H5NO4.2Na/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-3H,(H,9,10)(H,11,12);;/q;2*+1/p-2.
What are the key properties of disodium;pyridine-2,6-dicarboxylate?
disodium;pyridine-2,6-dicarboxylate has a molecular weight of 211.08 g/mol, XLogP of -8.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;pyridine-2,6-dicarboxylate is sourced from PubChem (CID 3015002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).