2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine

C16H19BN2O2 — CID 58382624

IUPAC2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine
SMILESCC1(C)OB(c2ccc(-c3cnccn3)cc2)OC1(C)C
InChIInChI=1S/C16H19BN2O2/c1-15(2)16(3,4)21-17(20-15)13-7-5-12(6-8-13)14-11-18-9-10-19-14/h5-11H,1-4H3
InChIKeyCOEZDCZYQKPTBL-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.44
Rot. Bonds2

About 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine

2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine (PubChem CID 58382624) has the molecular formula C16H19BN2O2 and a molecular weight of 282.15 g/mol. Its IUPAC name is 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine
PubChem CID58382624
Molecular FormulaC16H19BN2O2
Molecular Weight282.15 g/mol
Exact Mass282.15
IUPAC Name2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine
SMILESCC1(C)OB(c2ccc(-c3cnccn3)cc2)OC1(C)C
InChIInChI=1S/C16H19BN2O2/c1-15(2)16(3,4)21-17(20-15)13-7-5-12(6-8-13)14-11-18-9-10-19-14/h5-11H,1-4H3
InChIKeyCOEZDCZYQKPTBL-UHFFFAOYSA-N
XLogP2.44
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.44
H-Bond Donors ≤ 50
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-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine?
The IUPAC name of 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine (CID 58382624) is 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine.
What is the SMILES notation for 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine?
The canonical SMILES for 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine is CC1(C)OB(c2ccc(-c3cnccn3)cc2)OC1(C)C.
What is the InChIKey of 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine?
The InChIKey is COEZDCZYQKPTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BN2O2/c1-15(2)16(3,4)21-17(20-15)13-7-5-12(6-8-13)14-11-18-9-10-19-14/h5-11H,1-4H3.
What are the key properties of 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine?
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine has a molecular weight of 282.15 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazine is sourced from PubChem (CID 58382624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).