2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid

C12H8INO3 — CID 68833943

IUPAC2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccc[nH]c2=O)ccc1I
InChIInChI=1S/C12H8INO3/c13-10-4-3-7(6-9(10)12(16)17)8-2-1-5-14-11(8)15/h1-6H,(H,14,15)(H,16,17)
InChIKeyZJFFKQSNSURFOD-UHFFFAOYSA-N
MW341.10 g/mol
LogP2.34
Rot. Bonds2

About 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid

2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid (PubChem CID 68833943) has the molecular formula C12H8INO3 and a molecular weight of 341.10 g/mol. Its IUPAC name is 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid
PubChem CID68833943
Molecular FormulaC12H8INO3
Molecular Weight341.10 g/mol
Exact Mass340.95
IUPAC Name2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccc[nH]c2=O)ccc1I
InChIInChI=1S/C12H8INO3/c13-10-4-3-7(6-9(10)12(16)17)8-2-1-5-14-11(8)15/h1-6H,(H,14,15)(H,16,17)
InChIKeyZJFFKQSNSURFOD-UHFFFAOYSA-N
XLogP2.34
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.10
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid?
The IUPAC name of 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid (CID 68833943) is 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid.
What is the SMILES notation for 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid?
The canonical SMILES for 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid is O=C(O)c1cc(-c2ccc[nH]c2=O)ccc1I.
What is the InChIKey of 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid?
The InChIKey is ZJFFKQSNSURFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8INO3/c13-10-4-3-7(6-9(10)12(16)17)8-2-1-5-14-11(8)15/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid?
2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid has a molecular weight of 341.10 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(2-oxo-1H-pyridin-3-yl)benzoic acid is sourced from PubChem (CID 68833943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).