4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid

C12H8INO4 — CID 114207413

IUPAC4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1-c1cccc(I)c1
InChIInChI=1S/C12H8INO4/c13-7-2-1-3-8(4-7)14-10(12(17)18)5-9(15)6-11(14)16/h1-6,15H,(H,17,18)
InChIKeyXXLRSZHGRHSSAL-UHFFFAOYSA-N
MW357.10 g/mol
LogP1.85
Rot. Bonds2

About 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid

4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid (PubChem CID 114207413) has the molecular formula C12H8INO4 and a molecular weight of 357.10 g/mol. Its IUPAC name is 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid
PubChem CID114207413
Molecular FormulaC12H8INO4
Molecular Weight357.10 g/mol
Exact Mass356.95
IUPAC Name4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1-c1cccc(I)c1
InChIInChI=1S/C12H8INO4/c13-7-2-1-3-8(4-7)14-10(12(17)18)5-9(15)6-11(14)16/h1-6,15H,(H,17,18)
InChIKeyXXLRSZHGRHSSAL-UHFFFAOYSA-N
XLogP1.85
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.10
LogP ≤ 51.85
H-Bond Donors ≤ 52
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 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid (CID 114207413) is 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid is O=C(O)c1cc(O)cc(=O)n1-c1cccc(I)c1.
What is the InChIKey of 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid?
The InChIKey is XXLRSZHGRHSSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8INO4/c13-7-2-1-3-8(4-7)14-10(12(17)18)5-9(15)6-11(14)16/h1-6,15H,(H,17,18).
What are the key properties of 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid?
4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid has a molecular weight of 357.10 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-iodophenyl)-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).