methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate

C14H10F3NO3 — CID 15343903

IUPACmethyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(Oc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c1-20-13(19)9-4-5-12(11(7-9)14(15,16)17)21-10-3-2-6-18-8-10/h2-8H,1H3
InChIKeyRVFZPIZBIMGNTE-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.68
Rot. Bonds3

About methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate

methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate (PubChem CID 15343903) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate
PubChem CID15343903
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Namemethyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(Oc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c1-20-13(19)9-4-5-12(11(7-9)14(15,16)17)21-10-3-2-6-18-8-10/h2-8H,1H3
InChIKeyRVFZPIZBIMGNTE-UHFFFAOYSA-N
XLogP3.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate?
The IUPAC name of methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate (CID 15343903) is methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate is COC(=O)c1ccc(Oc2cccnc2)c(C(F)(F)F)c1.
What is the InChIKey of methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate?
The InChIKey is RVFZPIZBIMGNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-20-13(19)9-4-5-12(11(7-9)14(15,16)17)21-10-3-2-6-18-8-10/h2-8H,1H3.
What are the key properties of methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate?
methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate has a molecular weight of 297.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyridin-3-yloxy-3-(trifluoromethyl)benzoate is sourced from PubChem (CID 15343903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).