3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid

C15H12F3NO2 — CID 104571555

IUPAC3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)11-6-7-13(19-9-11)12(14(20)21)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,20,21)
InChIKeyJPNNKTSSBIAKNY-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.51
Rot. Bonds4

About 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid

3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid (PubChem CID 104571555) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
PubChem CID104571555
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)11-6-7-13(19-9-11)12(14(20)21)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,20,21)
InChIKeyJPNNKTSSBIAKNY-UHFFFAOYSA-N
XLogP3.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-nitro-2-pyridinyl)-3-phenylpropanoic acid
CID 104571604
3-phenyl-2-pyrimidin-4-ylpropanoic acid
CID 104571562
3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572984
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 171878081
3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572623
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102436674
3-(1-benzylpyrazol-4-yl)-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile
CID 86981954
[3-phenyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]hydrazine
CID 105285864
3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104573413
benzyl N-[3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butyl]carbamate
CID 171888831

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid (CID 104571555) is 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid is O=C(O)C(Cc1ccccc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The InChIKey is JPNNKTSSBIAKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)11-6-7-13(19-9-11)12(14(20)21)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,20,21).
What are the key properties of 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid has a molecular weight of 295.26 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 104571555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).