hydron;pyridine-2,3-dicarboxylate

C7H4NO4- — CID 16755641

IUPAChydron;pyridine-2,3-dicarboxylate
SMILESO=C([O-])c1cccnc1C(=O)[O-].[H+]
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-1
InChIKeyGJAWHXHKYYXBSV-UHFFFAOYSA-M
MW166.11 g/mol
LogP-2.08
Rot. Bonds2

About hydron;pyridine-2,3-dicarboxylate

hydron;pyridine-2,3-dicarboxylate (PubChem CID 16755641) has the molecular formula C7H4NO4- and a molecular weight of 166.11 g/mol. Its IUPAC name is hydron;pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namehydron;pyridine-2,3-dicarboxylate
PubChem CID16755641
Molecular FormulaC7H4NO4-
Molecular Weight166.11 g/mol
Exact Mass166.01
IUPAC Namehydron;pyridine-2,3-dicarboxylate
SMILESO=C([O-])c1cccnc1C(=O)[O-].[H+]
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-1
InChIKeyGJAWHXHKYYXBSV-UHFFFAOYSA-M
XLogP-2.08
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of hydron;pyridine-2,3-dicarboxylate?
The IUPAC name of hydron;pyridine-2,3-dicarboxylate (CID 16755641) is hydron;pyridine-2,3-dicarboxylate.
What is the SMILES notation for hydron;pyridine-2,3-dicarboxylate?
The canonical SMILES for hydron;pyridine-2,3-dicarboxylate is O=C([O-])c1cccnc1C(=O)[O-].[H+].
What is the InChIKey of hydron;pyridine-2,3-dicarboxylate?
The InChIKey is GJAWHXHKYYXBSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-1.
What are the key properties of hydron;pyridine-2,3-dicarboxylate?
hydron;pyridine-2,3-dicarboxylate has a molecular weight of 166.11 g/mol, XLogP of -2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;pyridine-2,3-dicarboxylate is sourced from PubChem (CID 16755641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).