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

C7H5F3N2O2 — CID 10104416

IUPAC2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-3-11-2-4(6(13)14)5(12-3)7(8,9)10/h2H,1H3,(H,13,14)
InChIKeyBECLGVAKEOAIAW-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.50
Rot. Bonds1

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

2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 10104416) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID10104416
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-3-11-2-4(6(13)14)5(12-3)7(8,9)10/h2H,1H3,(H,13,14)
InChIKeyBECLGVAKEOAIAW-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 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 10104416) is 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is BECLGVAKEOAIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-3-11-2-4(6(13)14)5(12-3)7(8,9)10/h2H,1H3,(H,13,14).
What are the key properties of 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-methyl-4-(trifluoromethyl)pyrimidine-5-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 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 10104416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).