hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid

C5H7BN2O4 — CID 172708684

IUPAChydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid
SMILESCc1cncc(OB(O)OO)n1
InChIInChI=1S/C5H7BN2O4/c1-4-2-7-3-5(8-4)11-6(9)12-10/h2-3,9-10H,1H3
InChIKeyFDVPLXQOSXXKBS-UHFFFAOYSA-N
MW169.93 g/mol
LogP-0.37
Rot. Bonds3

About hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid

hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid (PubChem CID 172708684) has the molecular formula C5H7BN2O4 and a molecular weight of 169.93 g/mol. Its IUPAC name is hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid.

Molecular Properties

Compound Namehydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid
PubChem CID172708684
Molecular FormulaC5H7BN2O4
Molecular Weight169.93 g/mol
Exact Mass170.05
IUPAC Namehydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid
SMILESCc1cncc(OB(O)OO)n1
InChIInChI=1S/C5H7BN2O4/c1-4-2-7-3-5(8-4)11-6(9)12-10/h2-3,9-10H,1H3
InChIKeyFDVPLXQOSXXKBS-UHFFFAOYSA-N
XLogP-0.37
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.93
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid?
The IUPAC name of hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid (CID 172708684) is hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid.
What is the SMILES notation for hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid?
The canonical SMILES for hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid is Cc1cncc(OB(O)OO)n1.
What is the InChIKey of hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid?
The InChIKey is FDVPLXQOSXXKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BN2O4/c1-4-2-7-3-5(8-4)11-6(9)12-10/h2-3,9-10H,1H3.
What are the key properties of hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid?
hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid has a molecular weight of 169.93 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid is sourced from PubChem (CID 172708684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).