5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid

C9H6INO3 — CID 121231831

IUPAC5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid
SMILESO=C1Cc2cc(I)cc(C(=O)O)c2N1
InChIInChI=1S/C9H6INO3/c10-5-1-4-2-7(12)11-8(4)6(3-5)9(13)14/h1,3H,2H2,(H,11,12)(H,13,14)
InChIKeyHPYWRTZIZQNEJS-UHFFFAOYSA-N
MW303.06 g/mol
LogP1.48
Rot. Bonds1

About 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid

5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid (PubChem CID 121231831) has the molecular formula C9H6INO3 and a molecular weight of 303.06 g/mol. Its IUPAC name is 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid.

Molecular Properties

Compound Name5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid
PubChem CID121231831
Molecular FormulaC9H6INO3
Molecular Weight303.06 g/mol
Exact Mass302.94
IUPAC Name5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid
SMILESO=C1Cc2cc(I)cc(C(=O)O)c2N1
InChIInChI=1S/C9H6INO3/c10-5-1-4-2-7(12)11-8(4)6(3-5)9(13)14/h1,3H,2H2,(H,11,12)(H,13,14)
InChIKeyHPYWRTZIZQNEJS-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 51.48
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 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid?
The IUPAC name of 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid (CID 121231831) is 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid.
What is the SMILES notation for 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid?
The canonical SMILES for 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid is O=C1Cc2cc(I)cc(C(=O)O)c2N1.
What is the InChIKey of 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid?
The InChIKey is HPYWRTZIZQNEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO3/c10-5-1-4-2-7(12)11-8(4)6(3-5)9(13)14/h1,3H,2H2,(H,11,12)(H,13,14).
What are the key properties of 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid?
5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid has a molecular weight of 303.06 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid is sourced from PubChem (CID 121231831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).