2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine

C14H6F7NO3 — CID 18629083

IUPAC2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine
SMILESFc1nc(Oc2ccc3c(c2)OCO3)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H6F7NO3/c15-11-7(13(16,17)18)4-8(14(19,20)21)12(22-11)25-6-1-2-9-10(3-6)24-5-23-9/h1-4H,5H2
InChIKeyFESSKZXGLHONDI-UHFFFAOYSA-N
MW369.19 g/mol
LogP4.78
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine

2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine (PubChem CID 18629083) has the molecular formula C14H6F7NO3 and a molecular weight of 369.19 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine
PubChem CID18629083
Molecular FormulaC14H6F7NO3
Molecular Weight369.19 g/mol
Exact Mass369.02
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine
SMILESFc1nc(Oc2ccc3c(c2)OCO3)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H6F7NO3/c15-11-7(13(16,17)18)4-8(14(19,20)21)12(22-11)25-6-1-2-9-10(3-6)24-5-23-9/h1-4H,5H2
InChIKeyFESSKZXGLHONDI-UHFFFAOYSA-N
XLogP4.78
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine (CID 18629083) is 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine is Fc1nc(Oc2ccc3c(c2)OCO3)c(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine?
The InChIKey is FESSKZXGLHONDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F7NO3/c15-11-7(13(16,17)18)4-8(14(19,20)21)12(22-11)25-6-1-2-9-10(3-6)24-5-23-9/h1-4H,5H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine?
2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-bis(trifluoromethyl)pyridine has a molecular weight of 369.19 g/mol, XLogP of 4.78, 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)-6-fluoro-3,5-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 18629083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).