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

C10H14BBrN2O2 — CID 53398566

IUPAC2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESCC1(C)OB(c2cnc(Br)cn2)OC1(C)C
InChIInChI=1S/C10H14BBrN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7/h5-6H,1-4H3
InChIKeyKKXOTPRDMLYWLI-UHFFFAOYSA-N
MW284.95 g/mol
LogP1.54
Rot. Bonds1

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

2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (PubChem CID 53398566) has the molecular formula C10H14BBrN2O2 and a molecular weight of 284.95 g/mol. Its IUPAC name is 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
PubChem CID53398566
Molecular FormulaC10H14BBrN2O2
Molecular Weight284.95 g/mol
Exact Mass284.03
IUPAC Name2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESCC1(C)OB(c2cnc(Br)cn2)OC1(C)C
InChIInChI=1S/C10H14BBrN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7/h5-6H,1-4H3
InChIKeyKKXOTPRDMLYWLI-UHFFFAOYSA-N
XLogP1.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.95
LogP ≤ 51.54
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-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The IUPAC name of 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CID 53398566) is 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.
What is the SMILES notation for 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The canonical SMILES for 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is CC1(C)OB(c2cnc(Br)cn2)OC1(C)C.
What is the InChIKey of 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The InChIKey is KKXOTPRDMLYWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BBrN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7/h5-6H,1-4H3.
What are the key properties of 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine has a molecular weight of 284.95 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is sourced from PubChem (CID 53398566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).