2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid

C16H9F3N2O2 — CID 3875890

IUPAC2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)10-1-2-13-11(7-10)12(15(22)23)8-14(21-13)9-3-5-20-6-4-9/h1-8H,(H,22,23)
InChIKeyFPFXEHRWJJDHCJ-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.01
Rot. Bonds2

About 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid

2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 3875890) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID3875890
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H9F3N2O2/c17-16(18,19)10-1-2-13-11(7-10)12(15(22)23)8-14(21-13)9-3-5-20-6-4-9/h1-8H,(H,22,23)
InChIKeyFPFXEHRWJJDHCJ-UHFFFAOYSA-N
XLogP4.01
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid (CID 3875890) is 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccncc2)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is FPFXEHRWJJDHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-16(18,19)10-1-2-13-11(7-10)12(15(22)23)8-14(21-13)9-3-5-20-6-4-9/h1-8H,(H,22,23).
What are the key properties of 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid?
2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 318.25 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-6-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3875890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).