chloroiminoazanium

H2ClN2+ — CID 59483577

IUPACchloroiminoazanium
SMILES[NH2+]=NCl
InChIInChI=1S/ClHN2/c1-3-2/h2H/p+1
InChIKeyCESPBGQCVDCTIW-UHFFFAOYSA-O
MW65.48 g/mol
LogP-0.65
Rot. Bonds

About chloroiminoazanium

chloroiminoazanium (PubChem CID 59483577) has the molecular formula H2ClN2+ and a molecular weight of 65.48 g/mol. Its IUPAC name is chloroiminoazanium.

Molecular Properties

Compound Namechloroiminoazanium
PubChem CID59483577
Molecular FormulaH2ClN2+
Molecular Weight65.48 g/mol
Exact Mass64.99
IUPAC Namechloroiminoazanium
SMILES[NH2+]=NCl
InChIInChI=1S/ClHN2/c1-3-2/h2H/p+1
InChIKeyCESPBGQCVDCTIW-UHFFFAOYSA-O
XLogP-0.65
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.48
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloroiminoazanium?
The IUPAC name of chloroiminoazanium (CID 59483577) is chloroiminoazanium.
What is the SMILES notation for chloroiminoazanium?
The canonical SMILES for chloroiminoazanium is [NH2+]=NCl.
What is the InChIKey of chloroiminoazanium?
The InChIKey is CESPBGQCVDCTIW-UHFFFAOYSA-O. The full InChI is InChI=1S/ClHN2/c1-3-2/h2H/p+1.
What are the key properties of chloroiminoazanium?
chloroiminoazanium has a molecular weight of 65.48 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroiminoazanium is sourced from PubChem (CID 59483577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).