2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

C8H7F3N2O2 — CID 45095410

IUPAC2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-2-5-12-3-4(7(14)15)6(13-5)8(9,10)11/h3H,2H2,1H3,(H,14,15)
InChIKeyGKHUETPYKOIENM-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.76
Rot. Bonds2

About 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 45095410) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID45095410
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-2-5-12-3-4(7(14)15)6(13-5)8(9,10)11/h3H,2H2,1H3,(H,14,15)
InChIKeyGKHUETPYKOIENM-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 45095410) is 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is CCc1ncc(C(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is GKHUETPYKOIENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-2-5-12-3-4(7(14)15)6(13-5)8(9,10)11/h3H,2H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 220.15 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 45095410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).