2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid

C7H4ClF3N2O2 — CID 53406059

IUPAC2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(Cl)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C7H4ClF3N2O2/c1-2-3(5(14)15)4(7(9,10)11)13-6(8)12-2/h1H3,(H,14,15)
InChIKeyOYHSJSRAGQUVAU-UHFFFAOYSA-N
MW240.57 g/mol
LogP2.16
Rot. Bonds1

About 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid

2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 53406059) has the molecular formula C7H4ClF3N2O2 and a molecular weight of 240.57 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID53406059
Molecular FormulaC7H4ClF3N2O2
Molecular Weight240.57 g/mol
Exact Mass239.99
IUPAC Name2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(Cl)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C7H4ClF3N2O2/c1-2-3(5(14)15)4(7(9,10)11)13-6(8)12-2/h1H3,(H,14,15)
InChIKeyOYHSJSRAGQUVAU-UHFFFAOYSA-N
XLogP2.16
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.57
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 53406059) is 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is Cc1nc(Cl)nc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is OYHSJSRAGQUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O2/c1-2-3(5(14)15)4(7(9,10)11)13-6(8)12-2/h1H3,(H,14,15).
What are the key properties of 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 240.57 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53406059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).