ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate

C8H7Cl3N2O2 — CID 27374117

IUPACethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl3N2O2/c1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10/h2-3H2,1H3
InChIKeyBBZKVKDEGXYGDA-UHFFFAOYSA-N
MW269.51 g/mol
LogP2.54
Rot. Bonds3

About ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate

ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate (PubChem CID 27374117) has the molecular formula C8H7Cl3N2O2 and a molecular weight of 269.51 g/mol. Its IUPAC name is ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate
PubChem CID27374117
Molecular FormulaC8H7Cl3N2O2
Molecular Weight269.51 g/mol
Exact Mass267.96
IUPAC Nameethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl3N2O2/c1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10/h2-3H2,1H3
InChIKeyBBZKVKDEGXYGDA-UHFFFAOYSA-N
XLogP2.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate (CID 27374117) is ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate is CCOC(=O)Cc1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate?
The InChIKey is BBZKVKDEGXYGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2O2/c1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10/h2-3H2,1H3.
What are the key properties of ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate?
ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate has a molecular weight of 269.51 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate is sourced from PubChem (CID 27374117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).