3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

C13H16BF2NO2 — CID 76529203

IUPAC3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCC1(C)OB(C=Cc2ncc(F)cc2F)OC1(C)C
InChIInChI=1S/C13H16BF2NO2/c1-12(2)13(3,4)19-14(18-12)6-5-11-10(16)7-9(15)8-17-11/h5-8H,1-4H3
InChIKeyCHKMRHSPROYQNN-UHFFFAOYSA-N
MW267.08 g/mol
LogP3.00
Rot. Bonds2

About 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (PubChem CID 76529203) has the molecular formula C13H16BF2NO2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
PubChem CID76529203
Molecular FormulaC13H16BF2NO2
Molecular Weight267.08 g/mol
Exact Mass267.12
IUPAC Name3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCC1(C)OB(C=Cc2ncc(F)cc2F)OC1(C)C
InChIInChI=1S/C13H16BF2NO2/c1-12(2)13(3,4)19-14(18-12)6-5-11-10(16)7-9(15)8-17-11/h5-8H,1-4H3
InChIKeyCHKMRHSPROYQNN-UHFFFAOYSA-N
XLogP3.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2734648
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 12067063
3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 16414268
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 17750283
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2734656
Pyridine-2-boronic acid, pinacol ester
CID 11241171
2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 12060164
2-Fluoropyridine-5-boronic acid pinacol ester
CID 12177222
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
CID 15979309
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 16414272
2-Methylpyridine-4-boronic acid pinacol ester
CID 16414274
3-Fluoro-4-pyridineboronic acid pinacol ester
CID 24208790

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The IUPAC name of 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (CID 76529203) is 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.
What is the SMILES notation for 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The canonical SMILES for 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is CC1(C)OB(C=Cc2ncc(F)cc2F)OC1(C)C.
What is the InChIKey of 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The InChIKey is CHKMRHSPROYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BF2NO2/c1-12(2)13(3,4)19-14(18-12)6-5-11-10(16)7-9(15)8-17-11/h5-8H,1-4H3.
What are the key properties of 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine has a molecular weight of 267.08 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is sourced from PubChem (CID 76529203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).