4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine

C11H4BF4NO2 — CID 23624461

IUPAC4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(B2Oc3ccccc3O2)c1F
InChIInChI=1S/C11H4BF4NO2/c13-8-7(9(14)11(16)17-10(8)15)12-18-5-3-1-2-4-6(5)19-12/h1-4H
InChIKeyKNDMWIXWBKWQAN-UHFFFAOYSA-N
MW268.96 g/mol
LogP1.80
Rot. Bonds1

About 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine

4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine (PubChem CID 23624461) has the molecular formula C11H4BF4NO2 and a molecular weight of 268.96 g/mol. Its IUPAC name is 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine
PubChem CID23624461
Molecular FormulaC11H4BF4NO2
Molecular Weight268.96 g/mol
Exact Mass269.03
IUPAC Name4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(B2Oc3ccccc3O2)c1F
InChIInChI=1S/C11H4BF4NO2/c13-8-7(9(14)11(16)17-10(8)15)12-18-5-3-1-2-4-6(5)19-12/h1-4H
InChIKeyKNDMWIXWBKWQAN-UHFFFAOYSA-N
XLogP1.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.96
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine (CID 23624461) is 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine is Fc1nc(F)c(F)c(B2Oc3ccccc3O2)c1F.
What is the InChIKey of 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine?
The InChIKey is KNDMWIXWBKWQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BF4NO2/c13-8-7(9(14)11(16)17-10(8)15)12-18-5-3-1-2-4-6(5)19-12/h1-4H.
What are the key properties of 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine?
4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine has a molecular weight of 268.96 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,2-benzodioxaborol-2-yl)-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 23624461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).