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

C7H5F3N2O2 — CID 68848967

IUPAC5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCc1cnc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C7H5F3N2O2/c1-3-2-11-6(7(8,9)10)12-4(3)5(13)14/h2H,1H3,(H,13,14)
InChIKeyPKMIGRXFKIOEQU-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.50
Rot. Bonds1

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

5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 68848967) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID68848967
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCc1cnc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C7H5F3N2O2/c1-3-2-11-6(7(8,9)10)12-4(3)5(13)14/h2H,1H3,(H,13,14)
InChIKeyPKMIGRXFKIOEQU-UHFFFAOYSA-N
XLogP1.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 68848967) is 5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is Cc1cnc(C(F)(F)F)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is PKMIGRXFKIOEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-3-2-11-6(7(8,9)10)12-4(3)5(13)14/h2H,1H3,(H,13,14).
What are the key properties of 5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 206.12 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 68848967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).