6-(trifluoromethyl)quinoline-8-carboxylic acid

C11H6F3NO2 — CID 129318996

IUPAC6-(trifluoromethyl)quinoline-8-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc2cccnc12
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)7-4-6-2-1-3-15-9(6)8(5-7)10(16)17/h1-5H,(H,16,17)
InChIKeyUPJZPWPDIZFJNK-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.95
Rot. Bonds1

About 6-(trifluoromethyl)quinoline-8-carboxylic acid

6-(trifluoromethyl)quinoline-8-carboxylic acid (PubChem CID 129318996) has the molecular formula C11H6F3NO2 and a molecular weight of 241.17 g/mol. Its IUPAC name is 6-(trifluoromethyl)quinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)quinoline-8-carboxylic acid
PubChem CID129318996
Molecular FormulaC11H6F3NO2
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Name6-(trifluoromethyl)quinoline-8-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc2cccnc12
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)7-4-6-2-1-3-15-9(6)8(5-7)10(16)17/h1-5H,(H,16,17)
InChIKeyUPJZPWPDIZFJNK-UHFFFAOYSA-N
XLogP2.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)quinoline-8-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)quinoline-8-carboxylic acid (CID 129318996) is 6-(trifluoromethyl)quinoline-8-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)quinoline-8-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)quinoline-8-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cc2cccnc12.
What is the InChIKey of 6-(trifluoromethyl)quinoline-8-carboxylic acid?
The InChIKey is UPJZPWPDIZFJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2/c12-11(13,14)7-4-6-2-1-3-15-9(6)8(5-7)10(16)17/h1-5H,(H,16,17).
What are the key properties of 6-(trifluoromethyl)quinoline-8-carboxylic acid?
6-(trifluoromethyl)quinoline-8-carboxylic acid has a molecular weight of 241.17 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)quinoline-8-carboxylic acid is sourced from PubChem (CID 129318996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).