2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid

C7H5Cl2NO3 — CID 590671

IUPAC2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid
SMILESO=C(O)COc1ncc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO3/c8-4-1-5(9)7(10-2-4)13-3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyTYWLCRHMAZYOFB-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.85
Rot. Bonds3

About 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid

2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid (PubChem CID 590671) has the molecular formula C7H5Cl2NO3 and a molecular weight of 222.03 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid
PubChem CID590671
Molecular FormulaC7H5Cl2NO3
Molecular Weight222.03 g/mol
Exact Mass220.96
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid
SMILESO=C(O)COc1ncc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO3/c8-4-1-5(9)7(10-2-4)13-3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyTYWLCRHMAZYOFB-UHFFFAOYSA-N
XLogP1.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid (CID 590671) is 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid is O=C(O)COc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid?
The InChIKey is TYWLCRHMAZYOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO3/c8-4-1-5(9)7(10-2-4)13-3-6(11)12/h1-2H,3H2,(H,11,12).
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid?
2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid has a molecular weight of 222.03 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 590671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).