5-iodo-4-oxo-1H-quinoline-2-carboxylic acid

C10H6INO3 — CID 14842715

IUPAC5-iodo-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(I)cccc2[nH]1
InChIInChI=1S/C10H6INO3/c11-5-2-1-3-6-9(5)8(13)4-7(12-6)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyDBHMHURMPHTSPS-UHFFFAOYSA-N
MW315.07 g/mol
LogP1.83
Rot. Bonds1

About 5-iodo-4-oxo-1H-quinoline-2-carboxylic acid

5-iodo-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 14842715) has the molecular formula C10H6INO3 and a molecular weight of 315.07 g/mol. Its IUPAC name is 5-iodo-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-iodo-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID14842715
Molecular FormulaC10H6INO3
Molecular Weight315.07 g/mol
Exact Mass314.94
IUPAC Name5-iodo-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(I)cccc2[nH]1
InChIInChI=1S/C10H6INO3/c11-5-2-1-3-6-9(5)8(13)4-7(12-6)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyDBHMHURMPHTSPS-UHFFFAOYSA-N
XLogP1.83
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.07
LogP ≤ 51.83
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-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 5-iodo-4-oxo-1H-quinoline-2-carboxylic acid (CID 14842715) is 5-iodo-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 5-iodo-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 5-iodo-4-oxo-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2c(I)cccc2[nH]1.
What is the InChIKey of 5-iodo-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is DBHMHURMPHTSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6INO3/c11-5-2-1-3-6-9(5)8(13)4-7(12-6)10(14)15/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 5-iodo-4-oxo-1H-quinoline-2-carboxylic acid?
5-iodo-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 315.07 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 14842715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).