2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid

C8H9ClN2O3 — CID 118095795

IUPAC2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid
SMILESCCc1nc(Cl)ncc1OCC(=O)O
InChIInChI=1S/C8H9ClN2O3/c1-2-5-6(14-4-7(12)13)3-10-8(9)11-5/h3H,2,4H2,1H3,(H,12,13)
InChIKeyNJIDZQRWKNOAQE-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.16
Rot. Bonds4

About 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid

2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid (PubChem CID 118095795) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid
PubChem CID118095795
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid
SMILESCCc1nc(Cl)ncc1OCC(=O)O
InChIInChI=1S/C8H9ClN2O3/c1-2-5-6(14-4-7(12)13)3-10-8(9)11-5/h3H,2,4H2,1H3,(H,12,13)
InChIKeyNJIDZQRWKNOAQE-UHFFFAOYSA-N
XLogP1.16
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid?
The IUPAC name of 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid (CID 118095795) is 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid.
What is the SMILES notation for 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid?
The canonical SMILES for 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid is CCc1nc(Cl)ncc1OCC(=O)O.
What is the InChIKey of 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid?
The InChIKey is NJIDZQRWKNOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-2-5-6(14-4-7(12)13)3-10-8(9)11-5/h3H,2,4H2,1H3,(H,12,13).
What are the key properties of 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid?
2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid has a molecular weight of 216.62 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-ethylpyrimidin-5-yl)oxyacetic acid is sourced from PubChem (CID 118095795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).