methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

C15H13Cl2NO4 — CID 2817949

IUPACmethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO4/c1-9(15(19)20-2)21-11-3-5-12(6-4-11)22-14-13(17)7-10(16)8-18-14/h3-9H,1-2H3
InChIKeyPIPBTZSRGDJLSK-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.12
Rot. Bonds5

About methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 2817949) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID2817949
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Namemethyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO4/c1-9(15(19)20-2)21-11-3-5-12(6-4-11)22-14-13(17)7-10(16)8-18-14/h3-9H,1-2H3
InChIKeyPIPBTZSRGDJLSK-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (CID 2817949) is methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is PIPBTZSRGDJLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-9(15(19)20-2)21-11-3-5-12(6-4-11)22-14-13(17)7-10(16)8-18-14/h3-9H,1-2H3.
What are the key properties of methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
methyl 2-[4-[(3,5-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-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 2817949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).