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

C14H21BFNO2 — CID 167725246

IUPAC2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)(F)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C14H21BFNO2/c1-12(2,16)11-9-10(7-8-17-11)15-18-13(3,4)14(5,6)19-15/h7-9H,1-6H3
InChIKeyPMTKZASGTMHXPI-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.59
Rot. Bonds2

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

2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 167725246) has the molecular formula C14H21BFNO2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID167725246
Molecular FormulaC14H21BFNO2
Molecular Weight265.14 g/mol
Exact Mass265.16
IUPAC Name2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)(F)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C14H21BFNO2/c1-12(2,16)11-9-10(7-8-17-11)15-18-13(3,4)14(5,6)19-15/h7-9H,1-6H3
InChIKeyPMTKZASGTMHXPI-UHFFFAOYSA-N
XLogP2.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.59
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 2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 167725246) is 2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(C)(F)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is PMTKZASGTMHXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BFNO2/c1-12(2,16)11-9-10(7-8-17-11)15-18-13(3,4)14(5,6)19-15/h7-9H,1-6H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 265.14 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 167725246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).