2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid

C5H3Cl2N3O3 — CID 14512346

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid
SMILESO=C(O)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl2N3O3/c6-3-8-4(7)10-5(9-3)13-1-2(11)12/h1H2,(H,11,12)
InChIKeyGKKLRIWCEXDZGQ-UHFFFAOYSA-N
MW224.00 g/mol
LogP0.64
Rot. Bonds3

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid

2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid (PubChem CID 14512346) has the molecular formula C5H3Cl2N3O3 and a molecular weight of 224.00 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid
PubChem CID14512346
Molecular FormulaC5H3Cl2N3O3
Molecular Weight224.00 g/mol
Exact Mass222.96
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid
SMILESO=C(O)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl2N3O3/c6-3-8-4(7)10-5(9-3)13-1-2(11)12/h1H2,(H,11,12)
InChIKeyGKKLRIWCEXDZGQ-UHFFFAOYSA-N
XLogP0.64
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic 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-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid (CID 14512346) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid is O=C(O)COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid?
The InChIKey is GKKLRIWCEXDZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N3O3/c6-3-8-4(7)10-5(9-3)13-1-2(11)12/h1H2,(H,11,12).
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid has a molecular weight of 224.00 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetic acid is sourced from PubChem (CID 14512346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).