2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C17H19BFNO3 — CID 71092882

IUPAC2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(Oc3ccccc3F)nc2)OC1(C)C
InChIInChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)12-9-10-15(20-11-12)21-14-8-6-5-7-13(14)19/h5-11H,1-4H3
InChIKeyLXTOPBGKULXZLX-UHFFFAOYSA-N
MW315.15 g/mol
LogP3.31
Rot. Bonds3

About 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 71092882) has the molecular formula C17H19BFNO3 and a molecular weight of 315.15 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID71092882
Molecular FormulaC17H19BFNO3
Molecular Weight315.15 g/mol
Exact Mass315.14
IUPAC Name2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(Oc3ccccc3F)nc2)OC1(C)C
InChIInChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)12-9-10-15(20-11-12)21-14-8-6-5-7-13(14)19/h5-11H,1-4H3
InChIKeyLXTOPBGKULXZLX-UHFFFAOYSA-N
XLogP3.31
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 71092882) is 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(Oc3ccccc3F)nc2)OC1(C)C.
What is the InChIKey of 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is LXTOPBGKULXZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)12-9-10-15(20-11-12)21-14-8-6-5-7-13(14)19/h5-11H,1-4H3.
What are the key properties of 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 315.15 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 71092882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).