2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid

C11H6F3NO3 — CID 133054559

IUPAC2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cccc2[nH]c1=O
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)7-2-1-3-8-5(7)4-6(10(17)18)9(16)15-8/h1-4H,(H,15,16)(H,17,18)
InChIKeyQMWMMEQOJCDUQO-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.25
Rot. Bonds1

About 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid

2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid (PubChem CID 133054559) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
PubChem CID133054559
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cccc2[nH]c1=O
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)7-2-1-3-8-5(7)4-6(10(17)18)9(16)15-8/h1-4H,(H,15,16)(H,17,18)
InChIKeyQMWMMEQOJCDUQO-UHFFFAOYSA-N
XLogP2.25
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553133
2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
CID 83401835
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid
CID 91900847
9-oxo-8-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 45117724
3,5-bis(trifluoromethyl)naphthalene-1-carboxylic acid
CID 142668987
2-chloro-5-(trifluoromethyl)quinoline-3-carboxylic acid
CID 87479875
2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 10566636
[4-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117194261
3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 151410207
5-chloro-2-oxo-1H-quinoline-3-carboxamide
CID 166443255
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid?
The IUPAC name of 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid (CID 133054559) is 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)cccc2[nH]c1=O.
What is the InChIKey of 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid?
The InChIKey is QMWMMEQOJCDUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c12-11(13,14)7-2-1-3-8-5(7)4-6(10(17)18)9(16)15-8/h1-4H,(H,15,16)(H,17,18).
What are the key properties of 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid?
2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid has a molecular weight of 257.17 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 133054559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).