CID 140657676

H2BN — CID 140657676

IUPAC—
SMILES[2H]N([2H])[B]
InChIInChI=1S/BH2N/c1-2/h2H2/i2D2
InChIKeyTVJORGWKNPGCDW-CBTSVUPCSA-N
MW28.85 g/mol
LogP-0.97
Rot. Bonds

About CID 140657676

CID 140657676 (PubChem CID 140657676) has the molecular formula H2BN and a molecular weight of 28.85 g/mol.

Molecular Properties

Compound NameCID 140657676
PubChem CID140657676
Molecular FormulaH2BN
Molecular Weight28.85 g/mol
Exact Mass29.04
IUPAC Name—
SMILES[2H]N([2H])[B]
InChIInChI=1S/BH2N/c1-2/h2H2/i2D2
InChIKeyTVJORGWKNPGCDW-CBTSVUPCSA-N
XLogP-0.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50028.85
LogP ≤ 5-0.97
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 140657676?
The IUPAC name of CID 140657676 (CID 140657676) is not available.
What is the SMILES notation for CID 140657676?
The canonical SMILES for CID 140657676 is [2H]N([2H])[B].
What is the InChIKey of CID 140657676?
The InChIKey is TVJORGWKNPGCDW-CBTSVUPCSA-N. The full InChI is InChI=1S/BH2N/c1-2/h2H2/i2D2.
What are the key properties of CID 140657676?
CID 140657676 has a molecular weight of 28.85 g/mol, XLogP of -0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140657676 is sourced from PubChem (CID 140657676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).