methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate

C15H13ClFNO4 — CID 138664444

IUPACmethyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1ncccc1Oc1cc(C)c(F)cc1Cl
InChIInChI=1S/C15H13ClFNO4/c1-9-6-13(10(16)7-11(9)17)22-12-4-3-5-18-15(12)21-8-14(19)20-2/h3-7H,8H2,1-2H3
InChIKeyJLZZDBKQWDQYGM-UHFFFAOYSA-N
MW325.72 g/mol
LogP3.53
Rot. Bonds5

About methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate

methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate (PubChem CID 138664444) has the molecular formula C15H13ClFNO4 and a molecular weight of 325.72 g/mol. Its IUPAC name is methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate
PubChem CID138664444
Molecular FormulaC15H13ClFNO4
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC Namemethyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1ncccc1Oc1cc(C)c(F)cc1Cl
InChIInChI=1S/C15H13ClFNO4/c1-9-6-13(10(16)7-11(9)17)22-12-4-3-5-18-15(12)21-8-14(19)20-2/h3-7H,8H2,1-2H3
InChIKeyJLZZDBKQWDQYGM-UHFFFAOYSA-N
XLogP3.53
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate?
The IUPAC name of methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate (CID 138664444) is methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate.
What is the SMILES notation for methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate?
The canonical SMILES for methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate is COC(=O)COc1ncccc1Oc1cc(C)c(F)cc1Cl.
What is the InChIKey of methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate?
The InChIKey is JLZZDBKQWDQYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4/c1-9-6-13(10(16)7-11(9)17)22-12-4-3-5-18-15(12)21-8-14(19)20-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate?
methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate has a molecular weight of 325.72 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 138664444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).