2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid

C11H12F3NO2 — CID 171538306

IUPAC2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESCC(C)(Cc1cccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C11H12F3NO2/c1-10(2,9(16)17)6-7-4-3-5-8(15-7)11(12,13)14/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyLMNJZTRQFOFMJY-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.75
Rot. Bonds3

About 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid

2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid (PubChem CID 171538306) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
PubChem CID171538306
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESCC(C)(Cc1cccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C11H12F3NO2/c1-10(2,9(16)17)6-7-4-3-5-8(15-7)11(12,13)14/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyLMNJZTRQFOFMJY-UHFFFAOYSA-N
XLogP2.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
CID 123230614
4-tert-butyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 118497799
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 64699610
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 68701165
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 144611139
2,2-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 117404459
2-[6-(1,1-dicarboxyethyl)-2-pyridinyl]-2-methylpropanedioic acid
CID 132516457
N-(1-ethylimidazol-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 138053973
1-tert-butyl-2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]guanidine
CID 122097137

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid (CID 171538306) is 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid is CC(C)(Cc1cccc(C(F)(F)F)n1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The InChIKey is LMNJZTRQFOFMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-10(2,9(16)17)6-7-4-3-5-8(15-7)11(12,13)14/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid?
2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid has a molecular weight of 247.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[6-(trifluoromethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 171538306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).