CID 159101423

H5B2N2 — CID 159101423

IUPAC—
SMILESN.[B].[B]N
InChIInChI=1S/BH2N.B.H3N/c1-2;;/h2H2;;1H3
InChIKeyZRHWPUGJNJRREH-UHFFFAOYSA-N
MW54.68 g/mol
LogP-1.19
Rot. Bonds

About CID 159101423

CID 159101423 (PubChem CID 159101423) has the molecular formula H5B2N2 and a molecular weight of 54.68 g/mol.

Molecular Properties

Compound NameCID 159101423
PubChem CID159101423
Molecular FormulaH5B2N2
Molecular Weight54.68 g/mol
Exact Mass55.06
IUPAC Name—
SMILESN.[B].[B]N
InChIInChI=1S/BH2N.B.H3N/c1-2;;/h2H2;;1H3
InChIKeyZRHWPUGJNJRREH-UHFFFAOYSA-N
XLogP-1.19
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50054.68
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 159101423?
The IUPAC name of CID 159101423 (CID 159101423) is not available.
What is the SMILES notation for CID 159101423?
The canonical SMILES for CID 159101423 is N.[B].[B]N.
What is the InChIKey of CID 159101423?
The InChIKey is ZRHWPUGJNJRREH-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2N.B.H3N/c1-2;;/h2H2;;1H3.
What are the key properties of CID 159101423?
CID 159101423 has a molecular weight of 54.68 g/mol, XLogP of -1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159101423 is sourced from PubChem (CID 159101423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).