3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid

C17H10F3NO2 — CID 154248063

IUPAC3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)21-15(13)16(22)23/h1-9H,(H,22,23)
InChIKeyFGDAQTYEDQLOOZ-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.62
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid

3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid (PubChem CID 154248063) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid
PubChem CID154248063
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)21-15(13)16(22)23/h1-9H,(H,22,23)
InChIKeyFGDAQTYEDQLOOZ-UHFFFAOYSA-N
XLogP4.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid (CID 154248063) is 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid is O=C(O)c1nc2ccccc2cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid?
The InChIKey is FGDAQTYEDQLOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/c18-17(19,20)12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)21-15(13)16(22)23/h1-9H,(H,22,23).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid?
3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid has a molecular weight of 317.27 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid is sourced from PubChem (CID 154248063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).