2-(2-chloro-6-iodophenyl)guanidine

C7H7ClIN3 — CID 54161142

IUPAC2-(2-chloro-6-iodophenyl)guanidine
SMILESNC(N)=Nc1c(Cl)cccc1I
InChIInChI=1S/C7H7ClIN3/c8-4-2-1-3-5(9)6(4)12-7(10)11/h1-3H,(H4,10,11,12)
InChIKeyOOMCBJVCHYWIRK-UHFFFAOYSA-N
MW295.51 g/mol
LogP1.85
Rot. Bonds1

About 2-(2-chloro-6-iodophenyl)guanidine

2-(2-chloro-6-iodophenyl)guanidine (PubChem CID 54161142) has the molecular formula C7H7ClIN3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-(2-chloro-6-iodophenyl)guanidine.

Molecular Properties

Compound Name2-(2-chloro-6-iodophenyl)guanidine
PubChem CID54161142
Molecular FormulaC7H7ClIN3
Molecular Weight295.51 g/mol
Exact Mass294.94
IUPAC Name2-(2-chloro-6-iodophenyl)guanidine
SMILESNC(N)=Nc1c(Cl)cccc1I
InChIInChI=1S/C7H7ClIN3/c8-4-2-1-3-5(9)6(4)12-7(10)11/h1-3H,(H4,10,11,12)
InChIKeyOOMCBJVCHYWIRK-UHFFFAOYSA-N
XLogP1.85
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 51.85
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-iodophenyl)guanidine?
The IUPAC name of 2-(2-chloro-6-iodophenyl)guanidine (CID 54161142) is 2-(2-chloro-6-iodophenyl)guanidine.
What is the SMILES notation for 2-(2-chloro-6-iodophenyl)guanidine?
The canonical SMILES for 2-(2-chloro-6-iodophenyl)guanidine is NC(N)=Nc1c(Cl)cccc1I.
What is the InChIKey of 2-(2-chloro-6-iodophenyl)guanidine?
The InChIKey is OOMCBJVCHYWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClIN3/c8-4-2-1-3-5(9)6(4)12-7(10)11/h1-3H,(H4,10,11,12).
What are the key properties of 2-(2-chloro-6-iodophenyl)guanidine?
2-(2-chloro-6-iodophenyl)guanidine has a molecular weight of 295.51 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-iodophenyl)guanidine is sourced from PubChem (CID 54161142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).