CID 172828791

C2H7BNNa — CID 172828791

IUPAC—
SMILESCNC.[B].[Na]
InChIInChI=1S/C2H7N.B.Na/c1-3-2;;/h3H,1-2H3;;
InChIKeyNWIAJQHUCBUXTE-UHFFFAOYSA-N
MW78.89 g/mol
LogP-0.93
Rot. Bonds

About CID 172828791

CID 172828791 (PubChem CID 172828791) has the molecular formula C2H7BNNa and a molecular weight of 78.89 g/mol.

Molecular Properties

Compound NameCID 172828791
PubChem CID172828791
Molecular FormulaC2H7BNNa
Molecular Weight78.89 g/mol
Exact Mass79.06
IUPAC Name—
SMILESCNC.[B].[Na]
InChIInChI=1S/C2H7N.B.Na/c1-3-2;;/h3H,1-2H3;;
InChIKeyNWIAJQHUCBUXTE-UHFFFAOYSA-N
XLogP-0.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.89
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172828791?
The IUPAC name of CID 172828791 (CID 172828791) is not available.
What is the SMILES notation for CID 172828791?
The canonical SMILES for CID 172828791 is CNC.[B].[Na].
What is the InChIKey of CID 172828791?
The InChIKey is NWIAJQHUCBUXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.B.Na/c1-3-2;;/h3H,1-2H3;;.
What are the key properties of CID 172828791?
CID 172828791 has a molecular weight of 78.89 g/mol, XLogP of -0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172828791 is sourced from PubChem (CID 172828791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).