2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine

C8H9BrClN3O — CID 104725233

IUPAC2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine
SMILESCc1cc(Br)c(/N=C(\N)NO)cc1Cl
InChIInChI=1S/C8H9BrClN3O/c1-4-2-5(9)7(3-6(4)10)12-8(11)13-14/h2-3,14H,1H3,(H3,11,12,13)
InChIKeyVMAIYEVMERXCGV-UHFFFAOYSA-N
MW278.54 g/mol
LogP2.34
Rot. Bonds1

About 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine

2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine (PubChem CID 104725233) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine
PubChem CID104725233
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine
SMILESCc1cc(Br)c(/N=C(\N)NO)cc1Cl
InChIInChI=1S/C8H9BrClN3O/c1-4-2-5(9)7(3-6(4)10)12-8(11)13-14/h2-3,14H,1H3,(H3,11,12,13)
InChIKeyVMAIYEVMERXCGV-UHFFFAOYSA-N
XLogP2.34
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 52.34
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine?
The IUPAC name of 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine (CID 104725233) is 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine is Cc1cc(Br)c(/N=C(\N)NO)cc1Cl.
What is the InChIKey of 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine?
The InChIKey is VMAIYEVMERXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c1-4-2-5(9)7(3-6(4)10)12-8(11)13-14/h2-3,14H,1H3,(H3,11,12,13).
What are the key properties of 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine?
2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine has a molecular weight of 278.54 g/mol, XLogP of 2.34, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine is sourced from PubChem (CID 104725233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).