sodium;cyanide;hydrobromide

CHBrNNa — CID 139950314

IUPACsodium;cyanide;hydrobromide
SMILESBr.[C-]#N.[Na+]
InChIInChI=1S/CN.BrH.Na/c1-2;;/h;1H;/q-1;;+1
InChIKeyATAOTLJZQFKPQH-UHFFFAOYSA-N
MW129.92 g/mol
LogP-2.32
Rot. Bonds

About sodium;cyanide;hydrobromide

sodium;cyanide;hydrobromide (PubChem CID 139950314) has the molecular formula CHBrNNa and a molecular weight of 129.92 g/mol. Its IUPAC name is sodium;cyanide;hydrobromide.

Molecular Properties

Compound Namesodium;cyanide;hydrobromide
PubChem CID139950314
Molecular FormulaCHBrNNa
Molecular Weight129.92 g/mol
Exact Mass128.92
IUPAC Namesodium;cyanide;hydrobromide
SMILESBr.[C-]#N.[Na+]
InChIInChI=1S/CN.BrH.Na/c1-2;;/h;1H;/q-1;;+1
InChIKeyATAOTLJZQFKPQH-UHFFFAOYSA-N
XLogP-2.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.92
LogP ≤ 5-2.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium;cyanide;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium cyanide
CID 8929
trisodium;iron(2+);pentacyanide
CID 157307614
sodium;iron(2+);tricyanide
CID 159498297
sodium;rhodium(2+);cyanide
CID 23681508
sodium;hydride;cyanide
CID 24940185
silver;sodium;cyanide
CID 23700743
disodium;hydride;iron;cyanide
CID 174748463
sodium;cobalt;hydride;cyanide
CID 173391489
tetrasodium;iron(3+);hexacyanide;hydroxide
CID 173042074
sodium;hydride;ruthenium(1+);cyanide
CID 174621752
sodium;cobalt(2+);iron(2+);pentacyanide
CID 169093006
sodium;zinc;oxygen(2-);cyanide
CID 157409955

Frequently Asked Questions

What is the IUPAC name of sodium;cyanide;hydrobromide?
The IUPAC name of sodium;cyanide;hydrobromide (CID 139950314) is sodium;cyanide;hydrobromide.
What is the SMILES notation for sodium;cyanide;hydrobromide?
The canonical SMILES for sodium;cyanide;hydrobromide is Br.[C-]#N.[Na+].
What is the InChIKey of sodium;cyanide;hydrobromide?
The InChIKey is ATAOTLJZQFKPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.BrH.Na/c1-2;;/h;1H;/q-1;;+1.
What are the key properties of sodium;cyanide;hydrobromide?
sodium;cyanide;hydrobromide has a molecular weight of 129.92 g/mol, XLogP of -2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyanide;hydrobromide is sourced from PubChem (CID 139950314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).