CID 173182441

CH4BLiN — CID 173182441

IUPAC—
SMILESC#N.[B].[H-].[H][H].[Li+]
InChIInChI=1S/CHN.B.Li.H2.H/c1-2;;;;/h1H;;;1H;/q;;+1;;-1
InChIKeyZEVWOYHJXCSERN-UHFFFAOYSA-N
MW47.80 g/mol
LogP-2.88
Rot. Bonds

About CID 173182441

CID 173182441 (PubChem CID 173182441) has the molecular formula CH4BLiN and a molecular weight of 47.80 g/mol.

Molecular Properties

Compound NameCID 173182441
PubChem CID173182441
Molecular FormulaCH4BLiN
Molecular Weight47.80 g/mol
Exact Mass48.06
IUPAC Name—
SMILESC#N.[B].[H-].[H][H].[Li+]
InChIInChI=1S/CHN.B.Li.H2.H/c1-2;;;;/h1H;;;1H;/q;;+1;;-1
InChIKeyZEVWOYHJXCSERN-UHFFFAOYSA-N
XLogP-2.88
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50047.80
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
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 173182441?
The IUPAC name of CID 173182441 (CID 173182441) is not available.
What is the SMILES notation for CID 173182441?
The canonical SMILES for CID 173182441 is C#N.[B].[H-].[H][H].[Li+].
What is the InChIKey of CID 173182441?
The InChIKey is ZEVWOYHJXCSERN-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN.B.Li.H2.H/c1-2;;;;/h1H;;;1H;/q;;+1;;-1.
What are the key properties of CID 173182441?
CID 173182441 has a molecular weight of 47.80 g/mol, XLogP of -2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173182441 is sourced from PubChem (CID 173182441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).