2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid

C8H7F3N2O3 — CID 83824405

IUPAC2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3/c1-16-3-6-12-4(7(14)15)2-5(13-6)8(9,10)11/h2H,3H2,1H3,(H,14,15)
InChIKeyVGYAWFPAUOXKOV-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.34
Rot. Bonds3

About 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid

2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 83824405) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID83824405
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3/c1-16-3-6-12-4(7(14)15)2-5(13-6)8(9,10)11/h2H,3H2,1H3,(H,14,15)
InChIKeyVGYAWFPAUOXKOV-UHFFFAOYSA-N
XLogP1.34
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 83824405) is 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid is COCc1nc(C(=O)O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is VGYAWFPAUOXKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-16-3-6-12-4(7(14)15)2-5(13-6)8(9,10)11/h2H,3H2,1H3,(H,14,15).
What are the key properties of 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83824405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).