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

C17H19BFNO2 — CID 57416422

IUPAC3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cncc(-c3ccc(F)cc3)c2)OC1(C)C
InChIInChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)14-9-13(10-20-11-14)12-5-7-15(19)8-6-12/h5-11H,1-4H3
InChIKeyBFULBRIFVGNWEW-UHFFFAOYSA-N
MW299.15 g/mol
LogP3.19
Rot. Bonds2

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

3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 57416422) has the molecular formula C17H19BFNO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID57416422
Molecular FormulaC17H19BFNO2
Molecular Weight299.15 g/mol
Exact Mass299.15
IUPAC Name3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cncc(-c3ccc(F)cc3)c2)OC1(C)C
InChIInChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)14-9-13(10-20-11-14)12-5-7-15(19)8-6-12/h5-11H,1-4H3
InChIKeyBFULBRIFVGNWEW-UHFFFAOYSA-N
XLogP3.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 57416422) is 3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cncc(-c3ccc(F)cc3)c2)OC1(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is BFULBRIFVGNWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)14-9-13(10-20-11-14)12-5-7-15(19)8-6-12/h5-11H,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 299.15 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 57416422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).