2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid

C8H7F3N2O2 — CID 83889192

IUPAC2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C8H7F3N2O2/c1-4(7(14)15)5-2-6(8(9,10)11)13-3-12-5/h2-4H,1H3,(H,14,15)
InChIKeyBRBZILBKBAQVJA-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.68
Rot. Bonds2

About 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid

2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid (PubChem CID 83889192) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid
PubChem CID83889192
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C8H7F3N2O2/c1-4(7(14)15)5-2-6(8(9,10)11)13-3-12-5/h2-4H,1H3,(H,14,15)
InChIKeyBRBZILBKBAQVJA-UHFFFAOYSA-N
XLogP1.68
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid?
The IUPAC name of 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid (CID 83889192) is 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid is CC(C(=O)O)c1cc(C(F)(F)F)ncn1.
What is the InChIKey of 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid?
The InChIKey is BRBZILBKBAQVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-4(7(14)15)5-2-6(8(9,10)11)13-3-12-5/h2-4H,1H3,(H,14,15).
What are the key properties of 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid?
2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid has a molecular weight of 220.15 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)pyrimidin-4-yl]propanoic acid is sourced from PubChem (CID 83889192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).