1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine

C7H7Br2ClN4 — CID 130484022

IUPAC1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine
SMILESNN/C(N)=N/c1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C7H7Br2ClN4/c8-4-1-3(10)2-5(9)6(4)13-7(11)14-12/h1-2H,12H2,(H3,11,13,14)
InChIKeyOHEOSYJNEAYLFA-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.27
Rot. Bonds1

About 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine

1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine (PubChem CID 130484022) has the molecular formula C7H7Br2ClN4 and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine
PubChem CID130484022
Molecular FormulaC7H7Br2ClN4
Molecular Weight342.42 g/mol
Exact Mass339.87
IUPAC Name1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine
SMILESNN/C(N)=N/c1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C7H7Br2ClN4/c8-4-1-3(10)2-5(9)6(4)13-7(11)14-12/h1-2H,12H2,(H3,11,13,14)
InChIKeyOHEOSYJNEAYLFA-UHFFFAOYSA-N
XLogP2.27
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine?
The IUPAC name of 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine (CID 130484022) is 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine.
What is the SMILES notation for 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine?
The canonical SMILES for 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine is NN/C(N)=N/c1c(Br)cc(Cl)cc1Br.
What is the InChIKey of 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine?
The InChIKey is OHEOSYJNEAYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2ClN4/c8-4-1-3(10)2-5(9)6(4)13-7(11)14-12/h1-2H,12H2,(H3,11,13,14).
What are the key properties of 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine?
1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine has a molecular weight of 342.42 g/mol, XLogP of 2.27, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,6-dibromo-4-chlorophenyl)guanidine is sourced from PubChem (CID 130484022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).