4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid

C11H5ClF3NO2 — CID 84820441

IUPAC4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2ccccc2c1Cl
InChIInChI=1S/C11H5ClF3NO2/c12-8-5-3-1-2-4-6(5)16-9(11(13,14)15)7(8)10(17)18/h1-4H,(H,17,18)
InChIKeyRUFNNPLCTTVKLE-UHFFFAOYSA-N
MW275.61 g/mol
LogP3.61
Rot. Bonds1

About 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid

4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid (PubChem CID 84820441) has the molecular formula C11H5ClF3NO2 and a molecular weight of 275.61 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid
PubChem CID84820441
Molecular FormulaC11H5ClF3NO2
Molecular Weight275.61 g/mol
Exact Mass275.00
IUPAC Name4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2ccccc2c1Cl
InChIInChI=1S/C11H5ClF3NO2/c12-8-5-3-1-2-4-6(5)16-9(11(13,14)15)7(8)10(17)18/h1-4H,(H,17,18)
InChIKeyRUFNNPLCTTVKLE-UHFFFAOYSA-N
XLogP3.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid (CID 84820441) is 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)nc2ccccc2c1Cl.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid?
The InChIKey is RUFNNPLCTTVKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO2/c12-8-5-3-1-2-4-6(5)16-9(11(13,14)15)7(8)10(17)18/h1-4H,(H,17,18).
What are the key properties of 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid?
4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid has a molecular weight of 275.61 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 84820441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).