2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

C16H23BN2O2 — CID 74789132

IUPAC2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCC1(C)OB(/C=C/c2cccc([C@@H]3CCN3)n2)OC1(C)C
InChIInChI=1S/C16H23BN2O2/c1-15(2)16(3,4)21-17(20-15)10-8-12-6-5-7-14(19-12)13-9-11-18-13/h5-8,10,13,18H,9,11H2,1-4H3/b10-8+/t13-/m0/s1
InChIKeyIMLJXDSNBCVCGR-FROQITRMSA-N
MW286.18 g/mol
LogP2.76
Rot. Bonds3

About 2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (PubChem CID 74789132) has the molecular formula C16H23BN2O2 and a molecular weight of 286.18 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
PubChem CID74789132
Molecular FormulaC16H23BN2O2
Molecular Weight286.18 g/mol
Exact Mass286.19
IUPAC Name2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCC1(C)OB(/C=C/c2cccc([C@@H]3CCN3)n2)OC1(C)C
InChIInChI=1S/C16H23BN2O2/c1-15(2)16(3,4)21-17(20-15)10-8-12-6-5-7-14(19-12)13-9-11-18-13/h5-8,10,13,18H,9,11H2,1-4H3/b10-8+/t13-/m0/s1
InChIKeyIMLJXDSNBCVCGR-FROQITRMSA-N
XLogP2.76
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (CID 74789132) is 2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is CC1(C)OB(/C=C/c2cccc([C@@H]3CCN3)n2)OC1(C)C.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The InChIKey is IMLJXDSNBCVCGR-FROQITRMSA-N. The full InChI is InChI=1S/C16H23BN2O2/c1-15(2)16(3,4)21-17(20-15)10-8-12-6-5-7-14(19-12)13-9-11-18-13/h5-8,10,13,18H,9,11H2,1-4H3/b10-8+/t13-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine has a molecular weight of 286.18 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is sourced from PubChem (CID 74789132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).