5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

C10H5ClFNO3 — CID 14519552

IUPAC5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(F)c(Cl)c2c1=O
InChIInChI=1S/C10H5ClFNO3/c11-8-5(12)1-2-6-7(8)9(14)4(3-13-6)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyZUTVZQUDAQXFDE-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.02
Rot. Bonds1

About 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 14519552) has the molecular formula C10H5ClFNO3 and a molecular weight of 241.60 g/mol. Its IUPAC name is 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID14519552
Molecular FormulaC10H5ClFNO3
Molecular Weight241.60 g/mol
Exact Mass240.99
IUPAC Name5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(F)c(Cl)c2c1=O
InChIInChI=1S/C10H5ClFNO3/c11-8-5(12)1-2-6-7(8)9(14)4(3-13-6)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyZUTVZQUDAQXFDE-UHFFFAOYSA-N
XLogP2.02
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (CID 14519552) is 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(F)c(Cl)c2c1=O.
What is the InChIKey of 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is ZUTVZQUDAQXFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO3/c11-8-5(12)1-2-6-7(8)9(14)4(3-13-6)10(15)16/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 241.60 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 14519552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).