CID 66656222

C8H6BN4O6 — CID 66656222

IUPAC—
SMILESO=c1[nH]cc(O[B]Oc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C8H6BN4O6/c14-5-3(1-10-7(16)12-5)18-9-19-4-2-11-8(17)13-6(4)15/h1-2H,(H2,10,12,14,16)(H2,11,13,15,17)
InChIKeyUYNRFDPOOJYECO-UHFFFAOYSA-N
MW264.97 g/mol
LogP-2.57
Rot. Bonds4

About CID 66656222

CID 66656222 (PubChem CID 66656222) has the molecular formula C8H6BN4O6 and a molecular weight of 264.97 g/mol.

Molecular Properties

Compound NameCID 66656222
PubChem CID66656222
Molecular FormulaC8H6BN4O6
Molecular Weight264.97 g/mol
Exact Mass265.04
IUPAC Name—
SMILESO=c1[nH]cc(O[B]Oc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C8H6BN4O6/c14-5-3(1-10-7(16)12-5)18-9-19-4-2-11-8(17)13-6(4)15/h1-2H,(H2,10,12,14,16)(H2,11,13,15,17)
InChIKeyUYNRFDPOOJYECO-UHFFFAOYSA-N
XLogP-2.57
TPSA149.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.97
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 CID 66656222?
The IUPAC name of CID 66656222 (CID 66656222) is not available.
What is the SMILES notation for CID 66656222?
The canonical SMILES for CID 66656222 is O=c1[nH]cc(O[B]Oc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of CID 66656222?
The InChIKey is UYNRFDPOOJYECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BN4O6/c14-5-3(1-10-7(16)12-5)18-9-19-4-2-11-8(17)13-6(4)15/h1-2H,(H2,10,12,14,16)(H2,11,13,15,17).
What are the key properties of CID 66656222?
CID 66656222 has a molecular weight of 264.97 g/mol, XLogP of -2.57, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66656222 is sourced from PubChem (CID 66656222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).