methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

C15H13Cl2NO4 — CID 3548271

IUPACmethyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO4/c1-9(15(19)20-2)21-10-3-5-11(6-4-10)22-14-12(16)7-8-13(17)18-14/h3-9H,1-2H3
InChIKeyRHPBNWCDJSOARE-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.12
Rot. Bonds5

About methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 3548271) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID3548271
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Namemethyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO4/c1-9(15(19)20-2)21-10-3-5-11(6-4-10)22-14-12(16)7-8-13(17)18-14/h3-9H,1-2H3
InChIKeyRHPBNWCDJSOARE-UHFFFAOYSA-N
XLogP4.12
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

Clodinafop-propargyl
CID 92431
Triclopyr-butotyl
CID 47455
Haloxyfop-P
CID 448979
Haloxyfop
CID 50895
Haloxyfop-methyl
CID 50896
haloxyfop-P-methyl
CID 13363033
Clodinafop
CID 5483847
Haloxyfop-etotyl
CID 91743
Triclopyr-ethyl
CID 3085207
Chlorazifop
CID 173715
Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester
CID 94596
3,6-Dichloro-2-[4-(3,6-dichloropyridin-2-yl)oxyphenoxy]pyridine
CID 2427302

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (CID 3548271) is methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is RHPBNWCDJSOARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-9(15(19)20-2)21-10-3-5-11(6-4-10)22-14-12(16)7-8-13(17)18-14/h3-9H,1-2H3.
What are the key properties of methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 342.18 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 3548271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).