methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate

C15H11ClF3NO3 — CID 3652861

IUPACmethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H11ClF3NO3/c1-22-13(21)6-9-2-4-11(5-3-9)23-14-12(16)7-10(8-20-14)15(17,18)19/h2-5,7-8H,6H2,1H3
InChIKeyFAEJKHHYGVHMHO-UHFFFAOYSA-N
MW345.70 g/mol
LogP4.26
Rot. Bonds4

About methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate

methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate (PubChem CID 3652861) has the molecular formula C15H11ClF3NO3 and a molecular weight of 345.70 g/mol. Its IUPAC name is methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
PubChem CID3652861
Molecular FormulaC15H11ClF3NO3
Molecular Weight345.70 g/mol
Exact Mass345.04
IUPAC Namemethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H11ClF3NO3/c1-22-13(21)6-9-2-4-11(5-3-9)23-14-12(16)7-10(8-20-14)15(17,18)19/h2-5,7-8H,6H2,1H3
InChIKeyFAEJKHHYGVHMHO-UHFFFAOYSA-N
XLogP4.26
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate (CID 3652861) is methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate is COC(=O)Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
The InChIKey is FAEJKHHYGVHMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3/c1-22-13(21)6-9-2-4-11(5-3-9)23-14-12(16)7-10(8-20-14)15(17,18)19/h2-5,7-8H,6H2,1H3.
What are the key properties of methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate has a molecular weight of 345.70 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate is sourced from PubChem (CID 3652861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).