methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate

C8H6ClF3N2O3 — CID 89115022

IUPACmethyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OCC(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H6ClF3N2O3/c1-16-6(15)4-2-5(14-7(9)13-4)17-3-8(10,11)12/h2H,3H2,1H3
InChIKeyZUAVKVGLCWCLMB-UHFFFAOYSA-N
MW270.59 g/mol
LogP1.86
Rot. Bonds3

About methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate

methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate (PubChem CID 89115022) has the molecular formula C8H6ClF3N2O3 and a molecular weight of 270.59 g/mol. Its IUPAC name is methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
PubChem CID89115022
Molecular FormulaC8H6ClF3N2O3
Molecular Weight270.59 g/mol
Exact Mass270.00
IUPAC Namemethyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OCC(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H6ClF3N2O3/c1-16-6(15)4-2-5(14-7(9)13-4)17-3-8(10,11)12/h2H,3H2,1H3
InChIKeyZUAVKVGLCWCLMB-UHFFFAOYSA-N
XLogP1.86
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate (CID 89115022) is methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate is COC(=O)c1cc(OCC(F)(F)F)nc(Cl)n1.
What is the InChIKey of methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate?
The InChIKey is ZUAVKVGLCWCLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O3/c1-16-6(15)4-2-5(14-7(9)13-4)17-3-8(10,11)12/h2H,3H2,1H3.
What are the key properties of methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate?
methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate has a molecular weight of 270.59 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate is sourced from PubChem (CID 89115022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).