6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid

C10H6FNO4 — CID 70686270

IUPAC6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(=O)n(O)c2ccc(F)cc12
InChIInChI=1S/C10H6FNO4/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12(8)16/h1-4,16H,(H,14,15)
InChIKeyZPBAGBPXGBXONL-UHFFFAOYSA-N
MW223.16 g/mol
LogP1.08
Rot. Bonds1

About 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid

6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid (PubChem CID 70686270) has the molecular formula C10H6FNO4 and a molecular weight of 223.16 g/mol. Its IUPAC name is 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid
PubChem CID70686270
Molecular FormulaC10H6FNO4
Molecular Weight223.16 g/mol
Exact Mass223.03
IUPAC Name6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(=O)n(O)c2ccc(F)cc12
InChIInChI=1S/C10H6FNO4/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12(8)16/h1-4,16H,(H,14,15)
InChIKeyZPBAGBPXGBXONL-UHFFFAOYSA-N
XLogP1.08
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid (CID 70686270) is 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid is O=C(O)c1cc(=O)n(O)c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid?
The InChIKey is ZPBAGBPXGBXONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO4/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12(8)16/h1-4,16H,(H,14,15).
What are the key properties of 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid?
6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid has a molecular weight of 223.16 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid is sourced from PubChem (CID 70686270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).