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

C8H6ClF3N2O2 — CID 53430144

IUPAC2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCc1nc(Cl)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H6ClF3N2O2/c1-2-3-4(6(15)16)5(8(10,11)12)14-7(9)13-3/h2H2,1H3,(H,15,16)
InChIKeyYYBNOXWVACACAU-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.41
Rot. Bonds2

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

2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 53430144) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID53430144
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCc1nc(Cl)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H6ClF3N2O2/c1-2-3-4(6(15)16)5(8(10,11)12)14-7(9)13-3/h2H2,1H3,(H,15,16)
InChIKeyYYBNOXWVACACAU-UHFFFAOYSA-N
XLogP2.41
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 53430144) is 2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is CCc1nc(Cl)nc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is YYBNOXWVACACAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c1-2-3-4(6(15)16)5(8(10,11)12)14-7(9)13-3/h2H2,1H3,(H,15,16).
What are the key properties of 2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 254.59 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53430144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).