CID 88886077

C₁₁H₁₀BN₃ — CID 88886077

About CID 88886077

CID 88886077 (PubChem CID 88886077) has the molecular formula C₁₁H₁₀BN₃ and a molecular weight of 195.03 g/mol.

Molecular Properties

• Compound Name: CID 88886077
• PubChem CID: 88886077
• Molecular Formula: C₁₁H₁₀BN₃
• Molecular Weight: 195.03 g/mol
• Exact Mass: 195.10
• IUPAC Name: —
• SMILES: [B]c1ccc(N)c(Nc2ccccc2)n1
• InChI: InChI=1S/C11H10BN3/c12-10-7-6-9(13)11(15-10)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
• InChIKey: JGVCQZQSSPEIFM-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 50.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.03
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 88886077?

The IUPAC name of CID 88886077 (CID 88886077) is not available.

What is the SMILES notation for CID 88886077?

The canonical SMILES for CID 88886077 is [B]c1ccc(N)c(Nc2ccccc2)n1.

What is the InChIKey of CID 88886077?

The InChIKey is JGVCQZQSSPEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BN3/c12-10-7-6-9(13)11(15-10)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15).

What are the key properties of CID 88886077?

CID 88886077 has a molecular weight of 195.03 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 88886077 is sourced from PubChem (CID 88886077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 88886077 — identifiers, structure, computed properties (public domain)

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