CID 58875914

C5H6BN2RfRh-2 — CID 58875914

IUPAC—
SMILES[B-]c1[n-]c(C)[c-][n+]1C.[Rf].[Rh]
InChIInChI=1S/C5H6BN2.Rf.Rh/c1-4-3-8(2)5(6)7-4;;/h1-2H3;;/q-2;;
InChIKeyOZGUNCHOJAOIKL-UHFFFAOYSA-N
MW474.84 g/mol
LogP-1.63
Rot. Bonds

About CID 58875914

CID 58875914 (PubChem CID 58875914) has the molecular formula C5H6BN2RfRh-2 and a molecular weight of 474.84 g/mol.

Molecular Properties

Compound NameCID 58875914
PubChem CID58875914
Molecular FormulaC5H6BN2RfRh-2
Molecular Weight474.84 g/mol
Exact Mass475.09
IUPAC Name—
SMILES[B-]c1[n-]c(C)[c-][n+]1C.[Rf].[Rh]
InChIInChI=1S/C5H6BN2.Rf.Rh/c1-4-3-8(2)5(6)7-4;;/h1-2H3;;/q-2;;
InChIKeyOZGUNCHOJAOIKL-UHFFFAOYSA-N
XLogP-1.63
TPSA17.98 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.84
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze CID 58875914 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58875914?
The IUPAC name of CID 58875914 (CID 58875914) is not available.
What is the SMILES notation for CID 58875914?
The canonical SMILES for CID 58875914 is [B-]c1[n-]c(C)[c-][n+]1C.[Rf].[Rh].
What is the InChIKey of CID 58875914?
The InChIKey is OZGUNCHOJAOIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BN2.Rf.Rh/c1-4-3-8(2)5(6)7-4;;/h1-2H3;;/q-2;;.
What are the key properties of CID 58875914?
CID 58875914 has a molecular weight of 474.84 g/mol, XLogP of -1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58875914 is sourced from PubChem (CID 58875914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).