7-(trifluoromethyl)quinoline-5-carboxylic acid

C11H6F3NO2 — CID 617812

IUPAC7-(trifluoromethyl)quinoline-5-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc2ncccc12
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)6-4-8(10(16)17)7-2-1-3-15-9(7)5-6/h1-5H,(H,16,17)
InChIKeyVTOHLIUHSTYNCA-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.95
Rot. Bonds1

About 7-(trifluoromethyl)quinoline-5-carboxylic acid

7-(trifluoromethyl)quinoline-5-carboxylic acid (PubChem CID 617812) has the molecular formula C11H6F3NO2 and a molecular weight of 241.17 g/mol. Its IUPAC name is 7-(trifluoromethyl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name7-(trifluoromethyl)quinoline-5-carboxylic acid
PubChem CID617812
Molecular FormulaC11H6F3NO2
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Name7-(trifluoromethyl)quinoline-5-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cc2ncccc12
InChIInChI=1S/C11H6F3NO2/c12-11(13,14)6-4-8(10(16)17)7-2-1-3-15-9(7)5-6/h1-5H,(H,16,17)
InChIKeyVTOHLIUHSTYNCA-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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Related Compounds

6-(trifluoromethyl)quinoline-8-carboxylic acid
CID 129318996
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
3,5-bis(trifluoromethyl)naphthalene-1-carboxylic acid
CID 142668987
7-(trifluoromethyl)isoquinoline-5-carboxylic acid
CID 155896607
pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone
CID 125474108
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3340694
7-fluoroquinoline-6-carboxylic acid
CID 77174821
6-fluoroquinoline-7-carboxylic acid
CID 175475921
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 152740170

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)quinoline-5-carboxylic acid?
The IUPAC name of 7-(trifluoromethyl)quinoline-5-carboxylic acid (CID 617812) is 7-(trifluoromethyl)quinoline-5-carboxylic acid.
What is the SMILES notation for 7-(trifluoromethyl)quinoline-5-carboxylic acid?
The canonical SMILES for 7-(trifluoromethyl)quinoline-5-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cc2ncccc12.
What is the InChIKey of 7-(trifluoromethyl)quinoline-5-carboxylic acid?
The InChIKey is VTOHLIUHSTYNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2/c12-11(13,14)6-4-8(10(16)17)7-2-1-3-15-9(7)5-6/h1-5H,(H,16,17).
What are the key properties of 7-(trifluoromethyl)quinoline-5-carboxylic acid?
7-(trifluoromethyl)quinoline-5-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 7-(trifluoromethyl)quinoline-5-carboxylic acid is sourced from PubChem (CID 617812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).