5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid

C10H6FNO4 — CID 149159805

IUPAC5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(O)c2c(F)cccc2[nH]c1=O
InChIInChI=1S/C10H6FNO4/c11-4-2-1-3-5-6(4)8(13)7(10(15)16)9(14)12-5/h1-3H,(H,15,16)(H2,12,13,14)
InChIKeyDNYIKDNNPHEZSE-UHFFFAOYSA-N
MW223.16 g/mol
LogP1.07
Rot. Bonds1

About 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid

5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 149159805) has the molecular formula C10H6FNO4 and a molecular weight of 223.16 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID149159805
Molecular FormulaC10H6FNO4
Molecular Weight223.16 g/mol
Exact Mass223.03
IUPAC Name5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(O)c2c(F)cccc2[nH]c1=O
InChIInChI=1S/C10H6FNO4/c11-4-2-1-3-5-6(4)8(13)7(10(15)16)9(14)12-5/h1-3H,(H,15,16)(H2,12,13,14)
InChIKeyDNYIKDNNPHEZSE-UHFFFAOYSA-N
XLogP1.07
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 149159805) is 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c(O)c2c(F)cccc2[nH]c1=O.
What is the InChIKey of 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is DNYIKDNNPHEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO4/c11-4-2-1-3-5-6(4)8(13)7(10(15)16)9(14)12-5/h1-3H,(H,15,16)(H2,12,13,14).
What are the key properties of 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 223.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 149159805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).