2-(4-iodophenyl)guanidine

C7H8IN3 — CID 11265456

IUPAC2-(4-iodophenyl)guanidine
SMILESNC(N)=Nc1ccc(I)cc1
InChIInChI=1S/C7H8IN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeyJMWQDIKJRCJGMY-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.20
Rot. Bonds1

About 2-(4-iodophenyl)guanidine

2-(4-iodophenyl)guanidine (PubChem CID 11265456) has the molecular formula C7H8IN3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-(4-iodophenyl)guanidine.

Molecular Properties

Compound Name2-(4-iodophenyl)guanidine
PubChem CID11265456
Molecular FormulaC7H8IN3
Molecular Weight261.07 g/mol
Exact Mass260.98
IUPAC Name2-(4-iodophenyl)guanidine
SMILESNC(N)=Nc1ccc(I)cc1
InChIInChI=1S/C7H8IN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeyJMWQDIKJRCJGMY-UHFFFAOYSA-N
XLogP1.20
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.20
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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Related Compounds

Phenylbiguanide
CID 4780
4-Iodoaniline
CID 10893
N-Phenylguanidine
CID 16157
3-Iodoaniline
CID 12271
N,N-Dimethyl-N'-phenylmethanimidamide
CID 15692
2-Iodoaniline
CID 11995
1-Phenylbiguanide monohydrochloride
CID 5932
N,N'-Methanetetraylbis(benzenamine)
CID 98693
Guanidine, N-phenyl-, hydrochloride (1:1)
CID 12253676
2,4-Diiodoaniline
CID 350250
1-Azido-4-iodobenzene
CID 3016836
4-Iodophenylisothiocyanate
CID 74938

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)guanidine?
The IUPAC name of 2-(4-iodophenyl)guanidine (CID 11265456) is 2-(4-iodophenyl)guanidine.
What is the SMILES notation for 2-(4-iodophenyl)guanidine?
The canonical SMILES for 2-(4-iodophenyl)guanidine is NC(N)=Nc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)guanidine?
The InChIKey is JMWQDIKJRCJGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11).
What are the key properties of 2-(4-iodophenyl)guanidine?
2-(4-iodophenyl)guanidine has a molecular weight of 261.07 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)guanidine is sourced from PubChem (CID 11265456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).