2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

C12H17BN2O2 — CID 172645068

IUPAC2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESC=Cc1cncc(B2OC(C)(C)C(C)(C)O2)n1
InChIInChI=1S/C12H17BN2O2/c1-6-9-7-14-8-10(15-9)13-16-11(2,3)12(4,5)17-13/h6-8H,1H2,2-5H3
InChIKeyAAOKOPVARHGAIF-UHFFFAOYSA-N
MW232.09 g/mol
LogP1.42
Rot. Bonds2

About 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (PubChem CID 172645068) has the molecular formula C12H17BN2O2 and a molecular weight of 232.09 g/mol. Its IUPAC name is 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.

Molecular Properties

Compound Name2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
PubChem CID172645068
Molecular FormulaC12H17BN2O2
Molecular Weight232.09 g/mol
Exact Mass232.14
IUPAC Name2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESC=Cc1cncc(B2OC(C)(C)C(C)(C)O2)n1
InChIInChI=1S/C12H17BN2O2/c1-6-9-7-14-8-10(15-9)13-16-11(2,3)12(4,5)17-13/h6-8H,1H2,2-5H3
InChIKeyAAOKOPVARHGAIF-UHFFFAOYSA-N
XLogP1.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.09
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxan-5-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 172645352
2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 99865696
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 68957537
2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23629516
2-[3,5-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170692995
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-triazole
CID 71463824
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine
CID 170918176
2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 53398566
argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 159310309
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine
CID 130115418
5-ethenyl-2,3-dimethylpyrazine
CID 86017396
2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine
CID 89216792

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The IUPAC name of 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CID 172645068) is 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.
What is the SMILES notation for 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The canonical SMILES for 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is C=Cc1cncc(B2OC(C)(C)C(C)(C)O2)n1.
What is the InChIKey of 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The InChIKey is AAOKOPVARHGAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BN2O2/c1-6-9-7-14-8-10(15-9)13-16-11(2,3)12(4,5)17-13/h6-8H,1H2,2-5H3.
What are the key properties of 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine has a molecular weight of 232.09 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is sourced from PubChem (CID 172645068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).