CID 162457255

CH3BI — CID 162457255

IUPAC—
SMILES[3H]C([BH])I
InChIInChI=1S/CH3BI/c2-1-3/h2H,1H2/i1T
InChIKeyZZJYJLZKOPTVFW-CNRUNOGKSA-N
MW154.76 g/mol
LogP0.28
Rot. Bonds

About CID 162457255

CID 162457255 (PubChem CID 162457255) has the molecular formula CH3BI and a molecular weight of 154.76 g/mol.

Molecular Properties

Compound NameCID 162457255
PubChem CID162457255
Molecular FormulaCH3BI
Molecular Weight154.76 g/mol
Exact Mass154.95
IUPAC Name—
SMILES[3H]C([BH])I
InChIInChI=1S/CH3BI/c2-1-3/h2H,1H2/i1T
InChIKeyZZJYJLZKOPTVFW-CNRUNOGKSA-N
XLogP0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.76
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162457255?
The IUPAC name of CID 162457255 (CID 162457255) is not available.
What is the SMILES notation for CID 162457255?
The canonical SMILES for CID 162457255 is [3H]C([BH])I.
What is the InChIKey of CID 162457255?
The InChIKey is ZZJYJLZKOPTVFW-CNRUNOGKSA-N. The full InChI is InChI=1S/CH3BI/c2-1-3/h2H,1H2/i1T.
What are the key properties of CID 162457255?
CID 162457255 has a molecular weight of 154.76 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162457255 is sourced from PubChem (CID 162457255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).