2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine

C13H8F3NO3 — CID 19860758

IUPAC2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)8-1-4-12(17-6-8)20-9-2-3-10-11(5-9)19-7-18-10/h1-6H,7H2
InChIKeyONXXOAQAVAIKAX-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.62
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine

2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine (PubChem CID 19860758) has the molecular formula C13H8F3NO3 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine
PubChem CID19860758
Molecular FormulaC13H8F3NO3
Molecular Weight283.20 g/mol
Exact Mass283.05
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)8-1-4-12(17-6-8)20-9-2-3-10-11(5-9)19-7-18-10/h1-6H,7H2
InChIKeyONXXOAQAVAIKAX-UHFFFAOYSA-N
XLogP3.62
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine (CID 19860758) is 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Oc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine?
The InChIKey is ONXXOAQAVAIKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)8-1-4-12(17-6-8)20-9-2-3-10-11(5-9)19-7-18-10/h1-6H,7H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine?
2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine has a molecular weight of 283.20 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 19860758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).