6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid

C10H6FNO3 — CID 21220809

IUPAC6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-4H,(H,12,13)(H,14,15)
InChIKeyLJWTUAHUOKMKCZ-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.37
Rot. Bonds1

About 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid

6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 21220809) has the molecular formula C10H6FNO3 and a molecular weight of 207.16 g/mol. Its IUPAC name is 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID21220809
Molecular FormulaC10H6FNO3
Molecular Weight207.16 g/mol
Exact Mass207.03
IUPAC Name6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-4H,(H,12,13)(H,14,15)
InChIKeyLJWTUAHUOKMKCZ-UHFFFAOYSA-N
XLogP1.37
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid (CID 21220809) is 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is LJWTUAHUOKMKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid?
6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 207.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 21220809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).