sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate

C7H5INNaO3 — CID 23699541

IUPACsodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate
SMILESO=C([O-])Cn1cc(I)ccc1=O.[Na+]
InChIInChI=1S/C7H6INO3.Na/c8-5-1-2-6(10)9(3-5)4-7(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1
InChIKeyPVOCAQZQPYZDRH-UHFFFAOYSA-M
MW301.02 g/mol
LogP-3.79
Rot. Bonds2

About sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate

sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate (PubChem CID 23699541) has the molecular formula C7H5INNaO3 and a molecular weight of 301.02 g/mol. Its IUPAC name is sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namesodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate
PubChem CID23699541
Molecular FormulaC7H5INNaO3
Molecular Weight301.02 g/mol
Exact Mass300.92
IUPAC Namesodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate
SMILESO=C([O-])Cn1cc(I)ccc1=O.[Na+]
InChIInChI=1S/C7H6INO3.Na/c8-5-1-2-6(10)9(3-5)4-7(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1
InChIKeyPVOCAQZQPYZDRH-UHFFFAOYSA-M
XLogP-3.79
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.02
LogP ≤ 5-3.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate?
The IUPAC name of sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate (CID 23699541) is sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate is O=C([O-])Cn1cc(I)ccc1=O.[Na+].
What is the InChIKey of sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate?
The InChIKey is PVOCAQZQPYZDRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6INO3.Na/c8-5-1-2-6(10)9(3-5)4-7(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate?
sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate has a molecular weight of 301.02 g/mol, XLogP of -3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(5-iodo-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 23699541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).