2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid

C10H10F3NO2S — CID 81230452

IUPAC2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
SMILESCC(C)(Sc1cc(C(F)(F)F)ccn1)C(=O)O
InChIInChI=1S/C10H10F3NO2S/c1-9(2,8(15)16)17-7-5-6(3-4-14-7)10(11,12)13/h3-5H,1-2H3,(H,15,16)
InChIKeyGGTOCGHCCNFQFM-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.06
Rot. Bonds3

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

2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid (PubChem CID 81230452) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
PubChem CID81230452
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
SMILESCC(C)(Sc1cc(C(F)(F)F)ccn1)C(=O)O
InChIInChI=1S/C10H10F3NO2S/c1-9(2,8(15)16)17-7-5-6(3-4-14-7)10(11,12)13/h3-5H,1-2H3,(H,15,16)
InChIKeyGGTOCGHCCNFQFM-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]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-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid?
The IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid (CID 81230452) is 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid is CC(C)(Sc1cc(C(F)(F)F)ccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid?
The InChIKey is GGTOCGHCCNFQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-9(2,8(15)16)17-7-5-6(3-4-14-7)10(11,12)13/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid?
2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid has a molecular weight of 265.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid is sourced from PubChem (CID 81230452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).