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

C7H5F3N2O3 — CID 83890413

IUPAC4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCOc1nc(C(F)(F)F)ncc1C(=O)O
InChIInChI=1S/C7H5F3N2O3/c1-15-4-3(5(13)14)2-11-6(12-4)7(8,9)10/h2H,1H3,(H,13,14)
InChIKeyJVTZCSGWMFVXKQ-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.20
Rot. Bonds2

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

4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 83890413) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID83890413
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCOc1nc(C(F)(F)F)ncc1C(=O)O
InChIInChI=1S/C7H5F3N2O3/c1-15-4-3(5(13)14)2-11-6(12-4)7(8,9)10/h2H,1H3,(H,13,14)
InChIKeyJVTZCSGWMFVXKQ-UHFFFAOYSA-N
XLogP1.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dimethoxypyrimidine-5-carboxylic acid
CID 19070667
4-Methoxy-2-methylpyrimidine-5-carboxylic acid
CID 12828958
Methyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 33778583
Ethyl 4-ethoxy-2-methylpyrimidine-5-carboxylate
CID 12318268
Ethyl 4-ethoxypyrimidine-5-carboxylate
CID 16637777
4-Ethoxy-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester
CID 68580627
4-Ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 83896941
Ethyl-4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 85989917
Ethyl 4-octoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 85989918
4-Prop-2-enoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 85989922
4-Octoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 85989923
Ethyl 2-methyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5-pyrimidinecarboxylate
CID 86593449

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 83890413) is 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is COc1nc(C(F)(F)F)ncc1C(=O)O.
What is the InChIKey of 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is JVTZCSGWMFVXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c1-15-4-3(5(13)14)2-11-6(12-4)7(8,9)10/h2H,1H3,(H,13,14).
What are the key properties of 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 222.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83890413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).