6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid

C10H4F3NO3 — CID 22690298

IUPAC6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)c(F)c(F)c2[nH]c1=O
InChIInChI=1S/C10H4F3NO3/c11-5-2-3-1-4(10(16)17)9(15)14-8(3)7(13)6(5)12/h1-2H,(H,14,15)(H,16,17)
InChIKeyPENCTVYIKBYSEH-UHFFFAOYSA-N
MW243.14 g/mol
LogP1.64
Rot. Bonds1

About 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid

6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 22690298) has the molecular formula C10H4F3NO3 and a molecular weight of 243.14 g/mol. Its IUPAC name is 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID22690298
Molecular FormulaC10H4F3NO3
Molecular Weight243.14 g/mol
Exact Mass243.01
IUPAC Name6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)c(F)c(F)c2[nH]c1=O
InChIInChI=1S/C10H4F3NO3/c11-5-2-3-1-4(10(16)17)9(15)14-8(3)7(13)6(5)12/h1-2H,(H,14,15)(H,16,17)
InChIKeyPENCTVYIKBYSEH-UHFFFAOYSA-N
XLogP1.64
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid (CID 22690298) is 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1cc2cc(F)c(F)c(F)c2[nH]c1=O.
What is the InChIKey of 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is PENCTVYIKBYSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3NO3/c11-5-2-3-1-4(10(16)17)9(15)14-8(3)7(13)6(5)12/h1-2H,(H,14,15)(H,16,17).
What are the key properties of 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid?
6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 243.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 22690298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).