dichlorozinc;methanamine

CH5Cl2NZn — CID 174618949

IUPACdichlorozinc;methanamine
SMILESCN.Cl[Zn]Cl
InChIInChI=1S/CH5N.2ClH.Zn/c1-2;;;/h2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyQBDQAUHZAKDXJL-UHFFFAOYSA-L
MW167.35 g/mol
LogP0.95
Rot. Bonds

About dichlorozinc;methanamine

dichlorozinc;methanamine (PubChem CID 174618949) has the molecular formula CH5Cl2NZn and a molecular weight of 167.35 g/mol. Its IUPAC name is dichlorozinc;methanamine.

Molecular Properties

Compound Namedichlorozinc;methanamine
PubChem CID174618949
Molecular FormulaCH5Cl2NZn
Molecular Weight167.35 g/mol
Exact Mass164.91
IUPAC Namedichlorozinc;methanamine
SMILESCN.Cl[Zn]Cl
InChIInChI=1S/CH5N.2ClH.Zn/c1-2;;;/h2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyQBDQAUHZAKDXJL-UHFFFAOYSA-L
XLogP0.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 dichlorozinc;methanamine?
The IUPAC name of dichlorozinc;methanamine (CID 174618949) is dichlorozinc;methanamine.
What is the SMILES notation for dichlorozinc;methanamine?
The canonical SMILES for dichlorozinc;methanamine is CN.Cl[Zn]Cl.
What is the InChIKey of dichlorozinc;methanamine?
The InChIKey is QBDQAUHZAKDXJL-UHFFFAOYSA-L. The full InChI is InChI=1S/CH5N.2ClH.Zn/c1-2;;;/h2H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozinc;methanamine?
dichlorozinc;methanamine has a molecular weight of 167.35 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;methanamine is sourced from PubChem (CID 174618949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).