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

C13H17BF3NO2 — CID 71183509

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine
SMILESCC1(C)OB(c2ccc(CC(F)(F)F)nc2)OC1(C)C
InChIInChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)9-5-6-10(18-8-9)7-13(15,16)17/h5-6,8H,7H2,1-4H3
InChIKeyNNYZBMSDICWYCK-UHFFFAOYSA-N
MW287.09 g/mol
LogP2.49
Rot. Bonds2

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

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine (PubChem CID 71183509) has the molecular formula C13H17BF3NO2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine
PubChem CID71183509
Molecular FormulaC13H17BF3NO2
Molecular Weight287.09 g/mol
Exact Mass287.13
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine
SMILESCC1(C)OB(c2ccc(CC(F)(F)F)nc2)OC1(C)C
InChIInChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)9-5-6-10(18-8-9)7-13(15,16)17/h5-6,8H,7H2,1-4H3
InChIKeyNNYZBMSDICWYCK-UHFFFAOYSA-N
XLogP2.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 52.49
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
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2734656
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
2-Methylpyridine-5-boronic acid
CID 2763081
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

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine (CID 71183509) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine is CC1(C)OB(c2ccc(CC(F)(F)F)nc2)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine?
The InChIKey is NNYZBMSDICWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)9-5-6-10(18-8-9)7-13(15,16)17/h5-6,8H,7H2,1-4H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine has a molecular weight of 287.09 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine is sourced from PubChem (CID 71183509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).