sodium 6-carboxypyridine-2-carboxylate

C7H4NNaO4 — CID 23690073

IUPACsodium 6-carboxypyridine-2-carboxylate
SMILESO=C([O-])c1cccc(C(=O)O)n1.[Na+]
InChIInChI=1S/C7H5NO4.Na/c9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-3H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyFYWQWZBZNHKKSQ-UHFFFAOYSA-M
MW189.10 g/mol
LogP-3.85
Rot. Bonds2

About sodium 6-carboxypyridine-2-carboxylate

sodium 6-carboxypyridine-2-carboxylate (PubChem CID 23690073) has the molecular formula C7H4NNaO4 and a molecular weight of 189.10 g/mol. Its IUPAC name is sodium 6-carboxypyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 6-carboxypyridine-2-carboxylate
PubChem CID23690073
Molecular FormulaC7H4NNaO4
Molecular Weight189.10 g/mol
Exact Mass189.00
IUPAC Namesodium 6-carboxypyridine-2-carboxylate
SMILESO=C([O-])c1cccc(C(=O)O)n1.[Na+]
InChIInChI=1S/C7H5NO4.Na/c9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-3H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyFYWQWZBZNHKKSQ-UHFFFAOYSA-M
XLogP-3.85
TPSA90.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 5-3.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 6-carboxypyridine-2-carboxylate?
The IUPAC name of sodium 6-carboxypyridine-2-carboxylate (CID 23690073) is sodium 6-carboxypyridine-2-carboxylate.
What is the SMILES notation for sodium 6-carboxypyridine-2-carboxylate?
The canonical SMILES for sodium 6-carboxypyridine-2-carboxylate is O=C([O-])c1cccc(C(=O)O)n1.[Na+].
What is the InChIKey of sodium 6-carboxypyridine-2-carboxylate?
The InChIKey is FYWQWZBZNHKKSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5NO4.Na/c9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-3H,(H,9,10)(H,11,12);/q;+1/p-1.
What are the key properties of sodium 6-carboxypyridine-2-carboxylate?
sodium 6-carboxypyridine-2-carboxylate has a molecular weight of 189.10 g/mol, XLogP of -3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-carboxypyridine-2-carboxylate is sourced from PubChem (CID 23690073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).