N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride

C2H2Cl2IN3 — CID 173476751

IUPACN-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride
SMILESNC(Cl)=NC(Cl)=NI
InChIInChI=1S/C2H2Cl2IN3/c3-1(6)7-2(4)8-5/h(H2,6,7,8)
InChIKeyYHCCORDCGOQYGA-UHFFFAOYSA-N
MW265.87 g/mol
LogP1.48
Rot. Bonds

About N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride

N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride (PubChem CID 173476751) has the molecular formula C2H2Cl2IN3 and a molecular weight of 265.87 g/mol. Its IUPAC name is N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride.

Molecular Properties

Compound NameN-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride
PubChem CID173476751
Molecular FormulaC2H2Cl2IN3
Molecular Weight265.87 g/mol
Exact Mass264.87
IUPAC NameN-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride
SMILESNC(Cl)=NC(Cl)=NI
InChIInChI=1S/C2H2Cl2IN3/c3-1(6)7-2(4)8-5/h(H2,6,7,8)
InChIKeyYHCCORDCGOQYGA-UHFFFAOYSA-N
XLogP1.48
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.87
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride?
The IUPAC name of N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride (CID 173476751) is N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride.
What is the SMILES notation for N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride?
The canonical SMILES for N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride is NC(Cl)=NC(Cl)=NI.
What is the InChIKey of N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride?
The InChIKey is YHCCORDCGOQYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2IN3/c3-1(6)7-2(4)8-5/h(H2,6,7,8).
What are the key properties of N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride?
N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride has a molecular weight of 265.87 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(chloro)methylidene]-N'-iodocarbamimidoyl chloride is sourced from PubChem (CID 173476751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).