2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid

C7H4Cl3NO3 — CID 13067048

IUPAC2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid
SMILESO=C(O)COc1nc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C7H4Cl3NO3/c8-3-1-4(9)11-7(6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
InChIKeyPDUDDXUOBMMYTJ-UHFFFAOYSA-N
MW256.47 g/mol
LogP2.51
Rot. Bonds3

About 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid

2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid (PubChem CID 13067048) has the molecular formula C7H4Cl3NO3 and a molecular weight of 256.47 g/mol. Its IUPAC name is 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid
PubChem CID13067048
Molecular FormulaC7H4Cl3NO3
Molecular Weight256.47 g/mol
Exact Mass254.93
IUPAC Name2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid
SMILESO=C(O)COc1nc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C7H4Cl3NO3/c8-3-1-4(9)11-7(6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
InChIKeyPDUDDXUOBMMYTJ-UHFFFAOYSA-N
XLogP2.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Triclopyr
CID 41428
Triclopyr-butotyl
CID 47455
Triclopyr triethylamine
CID 42163
Triclopyr-ethyl
CID 3085207
Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester
CID 94596
2,3,5-Trichloro-6-ethoxypyridine
CID 13666599
Acetic acid, ((3,5-dichloro-2-pyridyl)oxy)-
CID 50030
2-((5-Chloropyridin-2-yl)oxy)acetic acid
CID 1201021
2-[(6-Chloropyridin-2-yl)oxy]ethan-1-ol
CID 21936088
(3,5,6-Trichloro-2-pyridinyl) acetate
CID 13666602
Triclopyr, butyl ester
CID 85955745
(3,5-Dichloro-2-pyridyloxy)acetic acid
CID 590671

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid (CID 13067048) is 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid is O=C(O)COc1nc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid?
The InChIKey is PDUDDXUOBMMYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)11-7(6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13).
What are the key properties of 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid?
2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid has a molecular weight of 256.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,6-trichloro-2-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 13067048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).