2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid

C15H12F3NO3 — CID 117241340

IUPAC2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
SMILESO=C(O)C(COc1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)11-3-5-12(6-4-11)22-9-13(14(20)21)10-2-1-7-19-8-10/h1-8,13H,9H2,(H,20,21)
InChIKeyHOIZIYVAHXOHMP-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.35
Rot. Bonds5

About 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid

2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid (PubChem CID 117241340) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
PubChem CID117241340
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
SMILESO=C(O)C(COc1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)11-3-5-12(6-4-11)22-9-13(14(20)21)10-2-1-7-19-8-10/h1-8,13H,9H2,(H,20,21)
InChIKeyHOIZIYVAHXOHMP-UHFFFAOYSA-N
XLogP3.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117242534
3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid
CID 55182246
4-hydroxy-2-[[4-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117237049
[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285
2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
CID 117246541
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide
CID 87779433
4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
CID 154943553
pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 70392473
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 132535360
[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate
CID 10221967

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid?
The IUPAC name of 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid (CID 117241340) is 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid?
The canonical SMILES for 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid is O=C(O)C(COc1ccc(C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid?
The InChIKey is HOIZIYVAHXOHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c16-15(17,18)11-3-5-12(6-4-11)22-9-13(14(20)21)10-2-1-7-19-8-10/h1-8,13H,9H2,(H,20,21).
What are the key properties of 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid?
2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid has a molecular weight of 311.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid is sourced from PubChem (CID 117241340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).