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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12042979
CID 12042979
CID 18629053
CID 18629053
CID 18629059
CID 18629059
CID 18629068
CID 18629068
CID 18629098
CID 18629098
CID 18629106
CID 18629106
CID 18629113
CID 18629113
CID 18629114
CID 18629114
CID 18629152
CID 18629152
CID 19860758
CID 19860758
CID 69095339
CID 69095339
CID 139881527
CID 139881527

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).