2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid

C15H12F3NO2 — CID 67300416

IUPAC2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO2/c1-9(14(20)21)11-6-7-19-13(8-11)10-2-4-12(5-3-10)15(16,17)18/h2-9H,1H3,(H,20,21)
InChIKeySISUSRSTNDQPQU-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.96
Rot. Bonds3

About 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid

2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid (PubChem CID 67300416) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid
PubChem CID67300416
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NO2/c1-9(14(20)21)11-6-7-19-13(8-11)10-2-4-12(5-3-10)15(16,17)18/h2-9H,1H3,(H,20,21)
InChIKeySISUSRSTNDQPQU-UHFFFAOYSA-N
XLogP3.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid (CID 67300416) is 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid is CC(C(=O)O)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid?
The InChIKey is SISUSRSTNDQPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-9(14(20)21)11-6-7-19-13(8-11)10-2-4-12(5-3-10)15(16,17)18/h2-9H,1H3,(H,20,21).
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid?
2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid has a molecular weight of 295.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]propanoic acid is sourced from PubChem (CID 67300416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).