CID 173446659

C2H7BI — CID 173446659

IUPAC—
SMILESC[B]C.I
InChIInChI=1S/C2H6B.HI/c1-3-2;/h1-2H3;1H
InChIKeyCBFOMLVUSWEEHF-UHFFFAOYSA-N
MW168.79 g/mol
LogP1.40
Rot. Bonds

About CID 173446659

CID 173446659 (PubChem CID 173446659) has the molecular formula C2H7BI and a molecular weight of 168.79 g/mol.

Molecular Properties

Compound NameCID 173446659
PubChem CID173446659
Molecular FormulaC2H7BI
Molecular Weight168.79 g/mol
Exact Mass168.97
IUPAC Name—
SMILESC[B]C.I
InChIInChI=1S/C2H6B.HI/c1-3-2;/h1-2H3;1H
InChIKeyCBFOMLVUSWEEHF-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.79
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 173446659?
The IUPAC name of CID 173446659 (CID 173446659) is not available.
What is the SMILES notation for CID 173446659?
The canonical SMILES for CID 173446659 is C[B]C.I.
What is the InChIKey of CID 173446659?
The InChIKey is CBFOMLVUSWEEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6B.HI/c1-3-2;/h1-2H3;1H.
What are the key properties of CID 173446659?
CID 173446659 has a molecular weight of 168.79 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173446659 is sourced from PubChem (CID 173446659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).