CID 90075389

CBIO — CID 90075389

IUPAC—
SMILES[B]C(=O)I
InChIInChI=1S/CBIO/c2-1(3)4
InChIKeyMMDJDISVCXRORJ-UHFFFAOYSA-N
MW165.73 g/mol
LogP0.71
Rot. Bonds

About CID 90075389

CID 90075389 (PubChem CID 90075389) has the molecular formula CBIO and a molecular weight of 165.73 g/mol.

Molecular Properties

Compound NameCID 90075389
PubChem CID90075389
Molecular FormulaCBIO
Molecular Weight165.73 g/mol
Exact Mass165.91
IUPAC Name—
SMILES[B]C(=O)I
InChIInChI=1S/CBIO/c2-1(3)4
InChIKeyMMDJDISVCXRORJ-UHFFFAOYSA-N
XLogP0.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.73
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 89223258
CID 89223258

Frequently Asked Questions

What is the IUPAC name of CID 90075389?
The IUPAC name of CID 90075389 (CID 90075389) is not available.
What is the SMILES notation for CID 90075389?
The canonical SMILES for CID 90075389 is [B]C(=O)I.
What is the InChIKey of CID 90075389?
The InChIKey is MMDJDISVCXRORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CBIO/c2-1(3)4.
What are the key properties of CID 90075389?
CID 90075389 has a molecular weight of 165.73 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90075389 is sourced from PubChem (CID 90075389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).