2-(5-chloropyrimidin-4-yl)oxyacetic acid

C6H5ClN2O3 — CID 105370323

IUPAC2-(5-chloropyrimidin-4-yl)oxyacetic acid
SMILESO=C(O)COc1ncncc1Cl
InChIInChI=1S/C6H5ClN2O3/c7-4-1-8-3-9-6(4)12-2-5(10)11/h1,3H,2H2,(H,10,11)
InChIKeyRJBWGZZHBGQFJQ-UHFFFAOYSA-N
MW188.57 g/mol
LogP0.59
Rot. Bonds3

About 2-(5-chloropyrimidin-4-yl)oxyacetic acid

2-(5-chloropyrimidin-4-yl)oxyacetic acid (PubChem CID 105370323) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 2-(5-chloropyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-chloropyrimidin-4-yl)oxyacetic acid
PubChem CID105370323
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name2-(5-chloropyrimidin-4-yl)oxyacetic acid
SMILESO=C(O)COc1ncncc1Cl
InChIInChI=1S/C6H5ClN2O3/c7-4-1-8-3-9-6(4)12-2-5(10)11/h1,3H,2H2,(H,10,11)
InChIKeyRJBWGZZHBGQFJQ-UHFFFAOYSA-N
XLogP0.59
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloropyrimidin-4-yl)oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(5-chloropyrimidin-4-yl)oxyacetic acid (CID 105370323) is 2-(5-chloropyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-chloropyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(5-chloropyrimidin-4-yl)oxyacetic acid is O=C(O)COc1ncncc1Cl.
What is the InChIKey of 2-(5-chloropyrimidin-4-yl)oxyacetic acid?
The InChIKey is RJBWGZZHBGQFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-4-1-8-3-9-6(4)12-2-5(10)11/h1,3H,2H2,(H,10,11).
What are the key properties of 2-(5-chloropyrimidin-4-yl)oxyacetic acid?
2-(5-chloropyrimidin-4-yl)oxyacetic acid has a molecular weight of 188.57 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 105370323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).