2-(4-bromo-3-chlorophenyl)guanidine

C7H7BrClN3 — CID 54562942

IUPAC2-(4-bromo-3-chlorophenyl)guanidine
SMILESNC(N)=Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H7BrClN3/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3H,(H4,10,11,12)
InChIKeyZRURDMWZMRGKNL-UHFFFAOYSA-N
MW248.51 g/mol
LogP2.01
Rot. Bonds1

About 2-(4-bromo-3-chlorophenyl)guanidine

2-(4-bromo-3-chlorophenyl)guanidine (PubChem CID 54562942) has the molecular formula C7H7BrClN3 and a molecular weight of 248.51 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)guanidine.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)guanidine
PubChem CID54562942
Molecular FormulaC7H7BrClN3
Molecular Weight248.51 g/mol
Exact Mass246.95
IUPAC Name2-(4-bromo-3-chlorophenyl)guanidine
SMILESNC(N)=Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H7BrClN3/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3H,(H4,10,11,12)
InChIKeyZRURDMWZMRGKNL-UHFFFAOYSA-N
XLogP2.01
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 52.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)guanidine?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)guanidine (CID 54562942) is 2-(4-bromo-3-chlorophenyl)guanidine.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)guanidine?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)guanidine is NC(N)=Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)guanidine?
The InChIKey is ZRURDMWZMRGKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN3/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3H,(H4,10,11,12).
What are the key properties of 2-(4-bromo-3-chlorophenyl)guanidine?
2-(4-bromo-3-chlorophenyl)guanidine has a molecular weight of 248.51 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)guanidine is sourced from PubChem (CID 54562942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).