2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine

C8H8BrIN4 — CID 10155813

IUPAC2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(I)cc1Br
InChIInChI=1S/C8H8BrIN4/c9-7-3-6(10)2-1-5(7)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
InChIKeyOOVMJENKRFUFPG-YIXHJXPBSA-N
MW366.99 g/mol
LogP1.66
Rot. Bonds2

About 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine

2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine (PubChem CID 10155813) has the molecular formula C8H8BrIN4 and a molecular weight of 366.99 g/mol. Its IUPAC name is 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine
PubChem CID10155813
Molecular FormulaC8H8BrIN4
Molecular Weight366.99 g/mol
Exact Mass365.90
IUPAC Name2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(I)cc1Br
InChIInChI=1S/C8H8BrIN4/c9-7-3-6(10)2-1-5(7)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
InChIKeyOOVMJENKRFUFPG-YIXHJXPBSA-N
XLogP1.66
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.99
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine
CID 168591000
2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine
CID 44542176
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168591189
2-[[4-(bromomethyl)-2-fluorophenyl]methylideneamino]guanidine
CID 168591308
2-[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]guanidine
CID 168591297
2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
CID 140931951
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 171369925
2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine
CID 168591738
2-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]guanidine
CID 168592843

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine (CID 10155813) is 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine is NC(N)=N/N=C/c1ccc(I)cc1Br.
What is the InChIKey of 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine?
The InChIKey is OOVMJENKRFUFPG-YIXHJXPBSA-N. The full InChI is InChI=1S/C8H8BrIN4/c9-7-3-6(10)2-1-5(7)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+.
What are the key properties of 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine?
2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine has a molecular weight of 366.99 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine is sourced from PubChem (CID 10155813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).