2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine

C8H8BrClN4O — CID 168592991

IUPAC2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C8H8BrClN4O/c9-6-2-5(10)1-4(7(6)15)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14)
InChIKeyZZSDNPUBLYLHCS-UHFFFAOYSA-N
MW291.54 g/mol
LogP1.42
Rot. Bonds2

About 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine

2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 168592991) has the molecular formula C8H8BrClN4O and a molecular weight of 291.54 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
PubChem CID168592991
Molecular FormulaC8H8BrClN4O
Molecular Weight291.54 g/mol
Exact Mass289.96
IUPAC Name2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C8H8BrClN4O/c9-6-2-5(10)1-4(7(6)15)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14)
InChIKeyZZSDNPUBLYLHCS-UHFFFAOYSA-N
XLogP1.42
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.54
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

Analyze 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168591189
2-[2-bromo-4-chloro-6-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetic acid
CID 168592587
2-[(3,5-dichlorophenyl)methylideneamino]guanidine
CID 66842284
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 135435056
2,6-dibromo-4-chlorophenol
CID 21394
2-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-6-bromo-4-chlorophenol
CID 136767839
2-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-6-bromo-4-chlorophenol
CID 135501463
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136811178
acetic acid;2-[(E)-(2-bromo-5-chloro-3-nitrophenyl)methylideneamino]guanidine
CID 87175720
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine
CID 10155813

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine (CID 168592991) is 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is ZZSDNPUBLYLHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN4O/c9-6-2-5(10)1-4(7(6)15)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14).
What are the key properties of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine has a molecular weight of 291.54 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).