2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine

C11H9BN2O3 — CID 70956033

IUPAC2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine
SMILESOB1OCc2ccc(Oc3cnccn3)cc21
InChIInChI=1S/C11H9BN2O3/c15-12-10-5-9(2-1-8(10)7-16-12)17-11-6-13-3-4-14-11/h1-6,15H,7H2
InChIKeySYENSMFCESADBT-UHFFFAOYSA-N
MW228.02 g/mol
LogP0.49
Rot. Bonds2

About 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine

2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine (PubChem CID 70956033) has the molecular formula C11H9BN2O3 and a molecular weight of 228.02 g/mol. Its IUPAC name is 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine
PubChem CID70956033
Molecular FormulaC11H9BN2O3
Molecular Weight228.02 g/mol
Exact Mass228.07
IUPAC Name2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine
SMILESOB1OCc2ccc(Oc3cnccn3)cc21
InChIInChI=1S/C11H9BN2O3/c15-12-10-5-9(2-1-8(10)7-16-12)17-11-6-13-3-4-14-11/h1-6,15H,7H2
InChIKeySYENSMFCESADBT-UHFFFAOYSA-N
XLogP0.49
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.02
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine?
The IUPAC name of 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine (CID 70956033) is 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine.
What is the SMILES notation for 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine?
The canonical SMILES for 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine is OB1OCc2ccc(Oc3cnccn3)cc21.
What is the InChIKey of 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine?
The InChIKey is SYENSMFCESADBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BN2O3/c15-12-10-5-9(2-1-8(10)7-16-12)17-11-6-13-3-4-14-11/h1-6,15H,7H2.
What are the key properties of 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine?
2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine has a molecular weight of 228.02 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine is sourced from PubChem (CID 70956033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).