pyrazin-2-yloxyboronic acid

C4H5BN2O3 — CID 68815021

IUPACpyrazin-2-yloxyboronic acid
SMILESOB(O)Oc1cnccn1
InChIInChI=1S/C4H5BN2O3/c8-5(9)10-4-3-6-1-2-7-4/h1-3,8-9H
InChIKeyZAGOXLIWUBVBBZ-UHFFFAOYSA-N
MW139.91 g/mol
LogP-1.18
Rot. Bonds2

About pyrazin-2-yloxyboronic acid

pyrazin-2-yloxyboronic acid (PubChem CID 68815021) has the molecular formula C4H5BN2O3 and a molecular weight of 139.91 g/mol. Its IUPAC name is pyrazin-2-yloxyboronic acid.

Molecular Properties

Compound Namepyrazin-2-yloxyboronic acid
PubChem CID68815021
Molecular FormulaC4H5BN2O3
Molecular Weight139.91 g/mol
Exact Mass140.04
IUPAC Namepyrazin-2-yloxyboronic acid
SMILESOB(O)Oc1cnccn1
InChIInChI=1S/C4H5BN2O3/c8-5(9)10-4-3-6-1-2-7-4/h1-3,8-9H
InChIKeyZAGOXLIWUBVBBZ-UHFFFAOYSA-N
XLogP-1.18
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.91
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
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 pyrazin-2-yloxyboronic acid?
The IUPAC name of pyrazin-2-yloxyboronic acid (CID 68815021) is pyrazin-2-yloxyboronic acid.
What is the SMILES notation for pyrazin-2-yloxyboronic acid?
The canonical SMILES for pyrazin-2-yloxyboronic acid is OB(O)Oc1cnccn1.
What is the InChIKey of pyrazin-2-yloxyboronic acid?
The InChIKey is ZAGOXLIWUBVBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BN2O3/c8-5(9)10-4-3-6-1-2-7-4/h1-3,8-9H.
What are the key properties of pyrazin-2-yloxyboronic acid?
pyrazin-2-yloxyboronic acid has a molecular weight of 139.91 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yloxyboronic acid is sourced from PubChem (CID 68815021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).