2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine

C11H9BN2O3 — CID 122379383

IUPAC2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine
SMILESOB1OCc2c(Oc3cnccn3)cccc21
InChIInChI=1S/C11H9BN2O3/c15-12-9-2-1-3-10(8(9)7-16-12)17-11-6-13-4-5-14-11/h1-6,15H,7H2
InChIKeySKSFNXWFYVHFQE-UHFFFAOYSA-N
MW228.02 g/mol
LogP0.49
Rot. Bonds2

About 2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine

2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine (PubChem CID 122379383) 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-4-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine
PubChem CID122379383
Molecular FormulaC11H9BN2O3
Molecular Weight228.02 g/mol
Exact Mass228.07
IUPAC Name2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine
SMILESOB1OCc2c(Oc3cnccn3)cccc21
InChIInChI=1S/C11H9BN2O3/c15-12-9-2-1-3-10(8(9)7-16-12)17-11-6-13-4-5-14-11/h1-6,15H,7H2
InChIKeySKSFNXWFYVHFQE-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'}

Analyze 2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-pyrazinyloxy)phenyl]-1-ethanone O-allyloxime
CID 5927317
5-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinecarbonitrile
CID 122178900
5-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinemethanol
CID 122178901
5-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinemethanamine
CID 122178902
2-[5-Methyl-2-(1-methylethyl)phenoxy]pyrazine
CID 3708430
1-[4-(2-Pyrazinyloxy)phenyl]-1-ethanol
CID 3785990
2-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]pyrazine
CID 70956033
(NE)-N-[[5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazin-2-yl]methylidene]hydroxylamine
CID 137090985
2-(Pyrazin-2-yloxy)benzonitrile
CID 47002532
2-(4-Phenylmethoxyphenoxy)pyrazine
CID 8852558
2-(2-Methylphenoxy)pyrazine
CID 135007605
2-(4-Fluorophenoxy)-6-phenylmethoxypyrazine
CID 40145595

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine?
The IUPAC name of 2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine (CID 122379383) is 2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine.
What is the SMILES notation for 2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine?
The canonical SMILES for 2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine is OB1OCc2c(Oc3cnccn3)cccc21.
What is the InChIKey of 2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine?
The InChIKey is SKSFNXWFYVHFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BN2O3/c15-12-9-2-1-3-10(8(9)7-16-12)17-11-6-13-4-5-14-11/h1-6,15H,7H2.
What are the key properties of 2-[(1-hydroxy-3H-2,1-benzoxaborol-4-yl)oxy]pyrazine?
2-[(1-hydroxy-3H-2,1-benzoxaborol-4-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-4-yl)oxy]pyrazine is sourced from PubChem (CID 122379383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).