5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid

C8H7F3N2O2 — CID 69409063

IUPAC5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid
SMILESCc1cnc(CC(F)(F)F)nc1C(=O)O
InChIInChI=1S/C8H7F3N2O2/c1-4-3-12-5(2-8(9,10)11)13-6(4)7(14)15/h3H,2H2,1H3,(H,14,15)
InChIKeyARQXNFOZJNYVCS-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.59
Rot. Bonds2

About 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid

5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid (PubChem CID 69409063) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid
PubChem CID69409063
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid
SMILESCc1cnc(CC(F)(F)F)nc1C(=O)O
InChIInChI=1S/C8H7F3N2O2/c1-4-3-12-5(2-8(9,10)11)13-6(4)7(14)15/h3H,2H2,1H3,(H,14,15)
InChIKeyARQXNFOZJNYVCS-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid (CID 69409063) is 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid is Cc1cnc(CC(F)(F)F)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid?
The InChIKey is ARQXNFOZJNYVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-4-3-12-5(2-8(9,10)11)13-6(4)7(14)15/h3H,2H2,1H3,(H,14,15).
What are the key properties of 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid?
5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid has a molecular weight of 220.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 69409063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).