2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid

C14H11Cl2NO4 — CID 20542489

IUPAC2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid
SMILESCC(Oc1ccccc1)(Oc1nccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C14H11Cl2NO4/c1-14(13(18)19,20-9-5-3-2-4-6-9)21-12-11(16)10(15)7-8-17-12/h2-8H,1H3,(H,18,19)
InChIKeyDEDXQBAYYKWGDT-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.65
Rot. Bonds5

About 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid

2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid (PubChem CID 20542489) has the molecular formula C14H11Cl2NO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid.

Molecular Properties

Compound Name2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid
PubChem CID20542489
Molecular FormulaC14H11Cl2NO4
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid
SMILESCC(Oc1ccccc1)(Oc1nccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C14H11Cl2NO4/c1-14(13(18)19,20-9-5-3-2-4-6-9)21-12-11(16)10(15)7-8-17-12/h2-8H,1H3,(H,18,19)
InChIKeyDEDXQBAYYKWGDT-UHFFFAOYSA-N
XLogP3.65
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid?
The IUPAC name of 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid (CID 20542489) is 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid.
What is the SMILES notation for 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid?
The canonical SMILES for 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid is CC(Oc1ccccc1)(Oc1nccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid?
The InChIKey is DEDXQBAYYKWGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4/c1-14(13(18)19,20-9-5-3-2-4-6-9)21-12-11(16)10(15)7-8-17-12/h2-8H,1H3,(H,18,19).
What are the key properties of 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid?
2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid has a molecular weight of 328.15 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichloro-2-pyridinyl)oxy]-2-phenoxypropanoic acid is sourced from PubChem (CID 20542489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).