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

C21H17F3N2O2 — CID 58004358

IUPAC2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C21H17F3N2O2/c1-20(2,19(27)28)18-11-5-10-17(26-18)16-9-4-8-15(25-16)13-6-3-7-14(12-13)21(22,23)24/h3-12H,1-2H3,(H,27,28)
InChIKeySCWMOJYSTGUCOB-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.19
Rot. Bonds4

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

2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid (PubChem CID 58004358) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid
PubChem CID58004358
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C21H17F3N2O2/c1-20(2,19(27)28)18-11-5-10-17(26-18)16-9-4-8-15(25-16)13-6-3-7-14(12-13)21(22,23)24/h3-12H,1-2H3,(H,27,28)
InChIKeySCWMOJYSTGUCOB-UHFFFAOYSA-N
XLogP5.19
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
2-[4-tert-butyl-6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-methylpropanoic acid;platinum
CID 58620891
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
CID 14281179
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde
CID 87368454
4-[hydroxy-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]benzoic acid
CID 66939544
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 115050963
2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
CID 66041204
3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonic acid
CID 16747649
3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzoic acid
CID 66857601
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid?
The IUPAC name of 2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid (CID 58004358) is 2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid is CC(C)(C(=O)O)c1cccc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)n1.
What is the InChIKey of 2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid?
The InChIKey is SCWMOJYSTGUCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-20(2,19(27)28)18-11-5-10-17(26-18)16-9-4-8-15(25-16)13-6-3-7-14(12-13)21(22,23)24/h3-12H,1-2H3,(H,27,28).
What are the key properties of 2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid?
2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid has a molecular weight of 386.37 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 58004358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).