2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C15H23BFNO3 — CID 172645471

IUPAC2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)n1
InChIInChI=1S/C15H23BFNO3/c1-13(2,3)19-11-9-8-10(12(17)18-11)16-20-14(4,5)15(6,7)21-16/h8-9H,1-7H3
InChIKeyXBVUGHQSXVZTOH-UHFFFAOYSA-N
MW295.16 g/mol
LogP2.70
Rot. Bonds2

About 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 172645471) has the molecular formula C15H23BFNO3 and a molecular weight of 295.16 g/mol. Its IUPAC name is 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID172645471
Molecular FormulaC15H23BFNO3
Molecular Weight295.16 g/mol
Exact Mass295.18
IUPAC Name2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)n1
InChIInChI=1S/C15H23BFNO3/c1-13(2,3)19-11-9-8-10(12(17)18-11)16-20-14(4,5)15(6,7)21-16/h8-9H,1-7H3
InChIKeyXBVUGHQSXVZTOH-UHFFFAOYSA-N
XLogP2.70
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 172645471) is 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(C)(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)n1.
What is the InChIKey of 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is XBVUGHQSXVZTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BFNO3/c1-13(2,3)19-11-9-8-10(12(17)18-11)16-20-14(4,5)15(6,7)21-16/h8-9H,1-7H3.
What are the key properties of 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 295.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 172645471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).