2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid

C10H10F3NO3 — CID 117062646

IUPAC2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid
SMILESCc1ccc(C(F)(F)F)c(OC(C)C(=O)O)n1
InChIInChI=1S/C10H10F3NO3/c1-5-3-4-7(10(11,12)13)8(14-5)17-6(2)9(15)16/h3-4,6H,1-2H3,(H,15,16)
InChIKeyRFASMEAFVACJNC-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.26
Rot. Bonds3

About 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid

2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid (PubChem CID 117062646) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid.

Molecular Properties

Compound Name2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid
PubChem CID117062646
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid
SMILESCc1ccc(C(F)(F)F)c(OC(C)C(=O)O)n1
InChIInChI=1S/C10H10F3NO3/c1-5-3-4-7(10(11,12)13)8(14-5)17-6(2)9(15)16/h3-4,6H,1-2H3,(H,15,16)
InChIKeyRFASMEAFVACJNC-UHFFFAOYSA-N
XLogP2.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]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-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid?
The IUPAC name of 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid (CID 117062646) is 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid.
What is the SMILES notation for 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid?
The canonical SMILES for 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid is Cc1ccc(C(F)(F)F)c(OC(C)C(=O)O)n1.
What is the InChIKey of 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid?
The InChIKey is RFASMEAFVACJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-5-3-4-7(10(11,12)13)8(14-5)17-6(2)9(15)16/h3-4,6H,1-2H3,(H,15,16).
What are the key properties of 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid?
2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid has a molecular weight of 249.19 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 117062646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).