sodium;boranuide;pyridine

C5H9BNNa — CID 173033591

IUPACsodium;boranuide;pyridine
SMILES[BH4-].[Na+].c1ccncc1
InChIInChI=1S/C5H5N.BH4.Na/c1-2-4-6-5-3-1;;/h1-5H;1H4;/q;-1;+1
InChIKeyVQFCZFJHDHTELO-UHFFFAOYSA-N
MW116.94 g/mol
LogP-3.37
Rot. Bonds

About sodium;boranuide;pyridine

sodium;boranuide;pyridine (PubChem CID 173033591) has the molecular formula C5H9BNNa and a molecular weight of 116.94 g/mol. Its IUPAC name is sodium;boranuide;pyridine.

Molecular Properties

Compound Namesodium;boranuide;pyridine
PubChem CID173033591
Molecular FormulaC5H9BNNa
Molecular Weight116.94 g/mol
Exact Mass117.07
IUPAC Namesodium;boranuide;pyridine
SMILES[BH4-].[Na+].c1ccncc1
InChIInChI=1S/C5H5N.BH4.Na/c1-2-4-6-5-3-1;;/h1-5H;1H4;/q;-1;+1
InChIKeyVQFCZFJHDHTELO-UHFFFAOYSA-N
XLogP-3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.94
LogP ≤ 5-3.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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iridium(3+);tris(pyridine)
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bis(pyridine);hydrochloride
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CID 70045472
pyridine bromide
CID 19422742

Frequently Asked Questions

What is the IUPAC name of sodium;boranuide;pyridine?
The IUPAC name of sodium;boranuide;pyridine (CID 173033591) is sodium;boranuide;pyridine.
What is the SMILES notation for sodium;boranuide;pyridine?
The canonical SMILES for sodium;boranuide;pyridine is [BH4-].[Na+].c1ccncc1.
What is the InChIKey of sodium;boranuide;pyridine?
The InChIKey is VQFCZFJHDHTELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.BH4.Na/c1-2-4-6-5-3-1;;/h1-5H;1H4;/q;-1;+1.
What are the key properties of sodium;boranuide;pyridine?
sodium;boranuide;pyridine has a molecular weight of 116.94 g/mol, XLogP of -3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;boranuide;pyridine is sourced from PubChem (CID 173033591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).