methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

C14H10F3NO3 — CID 1479736

IUPACmethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H10F3NO3/c1-20-13(19)9-2-5-11(6-3-9)21-12-7-4-10(8-18-12)14(15,16)17/h2-8H,1H3
InChIKeyBMUYNIQCOBVULZ-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.68
Rot. Bonds3

About methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (PubChem CID 1479736) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
PubChem CID1479736
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Namemethyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H10F3NO3/c1-20-13(19)9-2-5-11(6-3-9)21-12-7-4-10(8-18-12)14(15,16)17/h2-8H,1H3
InChIKeyBMUYNIQCOBVULZ-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-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The IUPAC name of methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (CID 1479736) is methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The canonical SMILES for methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The InChIKey is BMUYNIQCOBVULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-20-13(19)9-2-5-11(6-3-9)21-12-7-4-10(8-18-12)14(15,16)17/h2-8H,1H3.
What are the key properties of methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]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-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 1479736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).