dicyanide dihydrochloride

C2H2Cl2N2-2 — CID 172804811

IUPACdicyanide dihydrochloride
SMILESCl.Cl.[C-]#N.[C-]#N
InChIInChI=1S/2CN.2ClH/c2*1-2;;/h;;2*1H/q2*-1;;
InChIKeyRJAVTOHKKNVYAE-UHFFFAOYSA-N
MW124.96 g/mol
LogP1.04
Rot. Bonds

About dicyanide dihydrochloride

dicyanide dihydrochloride (PubChem CID 172804811) has the molecular formula C2H2Cl2N2-2 and a molecular weight of 124.96 g/mol. Its IUPAC name is dicyanide dihydrochloride.

Molecular Properties

Compound Namedicyanide dihydrochloride
PubChem CID172804811
Molecular FormulaC2H2Cl2N2-2
Molecular Weight124.96 g/mol
Exact Mass123.96
IUPAC Namedicyanide dihydrochloride
SMILESCl.Cl.[C-]#N.[C-]#N
InChIInChI=1S/2CN.2ClH/c2*1-2;;/h;;2*1H/q2*-1;;
InChIKeyRJAVTOHKKNVYAE-UHFFFAOYSA-N
XLogP1.04
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.96
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyanide dihydrochloride?
The IUPAC name of dicyanide dihydrochloride (CID 172804811) is dicyanide dihydrochloride.
What is the SMILES notation for dicyanide dihydrochloride?
The canonical SMILES for dicyanide dihydrochloride is Cl.Cl.[C-]#N.[C-]#N.
What is the InChIKey of dicyanide dihydrochloride?
The InChIKey is RJAVTOHKKNVYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2CN.2ClH/c2*1-2;;/h;;2*1H/q2*-1;;.
What are the key properties of dicyanide dihydrochloride?
dicyanide dihydrochloride has a molecular weight of 124.96 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyanide dihydrochloride is sourced from PubChem (CID 172804811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).