2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide

C9H6Cl2IN3 — CID 169366175

IUPAC2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide
SMILESN#Cc1cc(Cl)c(/N=C(/N)CCl)c(I)c1
InChIInChI=1S/C9H6Cl2IN3/c10-3-8(14)15-9-6(11)1-5(4-13)2-7(9)12/h1-2H,3H2,(H2,14,15)
InChIKeyHHUSQSDCVGPUAA-UHFFFAOYSA-N
MW353.98 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide

2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide (PubChem CID 169366175) has the molecular formula C9H6Cl2IN3 and a molecular weight of 353.98 g/mol. Its IUPAC name is 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide
PubChem CID169366175
Molecular FormulaC9H6Cl2IN3
Molecular Weight353.98 g/mol
Exact Mass352.90
IUPAC Name2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide
SMILESN#Cc1cc(Cl)c(/N=C(/N)CCl)c(I)c1
InChIInChI=1S/C9H6Cl2IN3/c10-3-8(14)15-9-6(11)1-5(4-13)2-7(9)12/h1-2H,3H2,(H2,14,15)
InChIKeyHHUSQSDCVGPUAA-UHFFFAOYSA-N
XLogP3.04
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.98
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide (CID 169366175) is 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide is N#Cc1cc(Cl)c(/N=C(/N)CCl)c(I)c1.
What is the InChIKey of 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide?
The InChIKey is HHUSQSDCVGPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2IN3/c10-3-8(14)15-9-6(11)1-5(4-13)2-7(9)12/h1-2H,3H2,(H2,14,15).
What are the key properties of 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide?
2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide has a molecular weight of 353.98 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide is sourced from PubChem (CID 169366175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).