CID 157032361

C₁₀H₆BN₅O₂ — CID 157032361

About CID 157032361

CID 157032361 (PubChem CID 157032361) has the molecular formula C₁₀H₆BN₅O₂ and a molecular weight of 239.00 g/mol.

Molecular Properties

• Compound Name: CID 157032361
• PubChem CID: 157032361
• Molecular Formula: C₁₀H₆BN₅O₂
• Molecular Weight: 239.00 g/mol
• Exact Mass: 239.06
• IUPAC Name: —
• SMILES: [B]c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12
• InChI: InChI=1S/C10H6BN5O2/c11-6-3-7(15-16-2-1-12-8(6)16)5-4-13-10(18)14-9(5)17/h1-4H,(H2,13,14,17,18)
• InChIKey: WIXMPEDVEBYZSU-UHFFFAOYSA-N
• XLogP: -1.43
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.00
LogP ≤ 5	-1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 157032361?

The IUPAC name of CID 157032361 (CID 157032361) is not available.

What is the SMILES notation for CID 157032361?

The canonical SMILES for CID 157032361 is [B]c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12.

What is the InChIKey of CID 157032361?

The InChIKey is WIXMPEDVEBYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BN5O2/c11-6-3-7(15-16-2-1-12-8(6)16)5-4-13-10(18)14-9(5)17/h1-4H,(H2,13,14,17,18).

What are the key properties of CID 157032361?

CID 157032361 has a molecular weight of 239.00 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157032361 is sourced from PubChem (CID 157032361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157032361 — identifiers, structure, computed properties (public domain)

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