CID 146168648

CH5B3IrN-2 — CID 146168648

IUPAC—
SMILES[B].[B].[B].[CH3-].[Ir].[NH2-]
InChIInChI=1S/CH3.3B.Ir.H2N/h1H3;;;;;1H2/q-1;;;;;-1
InChIKeyQQFGZMNBOGYQFZ-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.02
Rot. Bonds

About CID 146168648

CID 146168648 (PubChem CID 146168648) has the molecular formula CH5B3IrN-2 and a molecular weight of 255.71 g/mol.

Molecular Properties

Compound NameCID 146168648
PubChem CID146168648
Molecular FormulaCH5B3IrN-2
Molecular Weight255.71 g/mol
Exact Mass257.03
IUPAC Name—
SMILES[B].[B].[B].[CH3-].[Ir].[NH2-]
InChIInChI=1S/CH3.3B.Ir.H2N/h1H3;;;;;1H2/q-1;;;;;-1
InChIKeyQQFGZMNBOGYQFZ-UHFFFAOYSA-N
XLogP0.02
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.02
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 146168648?
The IUPAC name of CID 146168648 (CID 146168648) is not available.
What is the SMILES notation for CID 146168648?
The canonical SMILES for CID 146168648 is [B].[B].[B].[CH3-].[Ir].[NH2-].
What is the InChIKey of CID 146168648?
The InChIKey is QQFGZMNBOGYQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3.3B.Ir.H2N/h1H3;;;;;1H2/q-1;;;;;-1.
What are the key properties of CID 146168648?
CID 146168648 has a molecular weight of 255.71 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146168648 is sourced from PubChem (CID 146168648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).