acetonitrile;trihydrochloride

C2H6Cl3N — CID 141316565

IUPACacetonitrile;trihydrochloride
SMILESCC#N.Cl.Cl.Cl
InChIInChI=1S/C2H3N.3ClH/c1-2-3;;;/h1H3;3*1H
InChIKeyLCPXDKIGYNCBJR-UHFFFAOYSA-N
MW150.44 g/mol
LogP1.80
Rot. Bonds

About acetonitrile;trihydrochloride

acetonitrile;trihydrochloride (PubChem CID 141316565) has the molecular formula C2H6Cl3N and a molecular weight of 150.44 g/mol. Its IUPAC name is acetonitrile;trihydrochloride.

Molecular Properties

Compound Nameacetonitrile;trihydrochloride
PubChem CID141316565
Molecular FormulaC2H6Cl3N
Molecular Weight150.44 g/mol
Exact Mass148.96
IUPAC Nameacetonitrile;trihydrochloride
SMILESCC#N.Cl.Cl.Cl
InChIInChI=1S/C2H3N.3ClH/c1-2-3;;;/h1H3;3*1H
InChIKeyLCPXDKIGYNCBJR-UHFFFAOYSA-N
XLogP1.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;trihydrochloride?
The IUPAC name of acetonitrile;trihydrochloride (CID 141316565) is acetonitrile;trihydrochloride.
What is the SMILES notation for acetonitrile;trihydrochloride?
The canonical SMILES for acetonitrile;trihydrochloride is CC#N.Cl.Cl.Cl.
What is the InChIKey of acetonitrile;trihydrochloride?
The InChIKey is LCPXDKIGYNCBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.3ClH/c1-2-3;;;/h1H3;3*1H.
What are the key properties of acetonitrile;trihydrochloride?
acetonitrile;trihydrochloride has a molecular weight of 150.44 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;trihydrochloride is sourced from PubChem (CID 141316565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).