2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine

C8H8BrClN4O — CID 168591189

IUPAC2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)c(Br)cc1O
InChIInChI=1S/C8H8BrClN4O/c9-5-2-7(15)4(1-6(5)10)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14)
InChIKeyXAIAMDZAIUQJNL-UHFFFAOYSA-N
MW291.54 g/mol
LogP1.42
Rot. Bonds2

About 2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine

2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 168591189) has the molecular formula C8H8BrClN4O and a molecular weight of 291.54 g/mol. Its IUPAC name is 2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
PubChem CID168591189
Molecular FormulaC8H8BrClN4O
Molecular Weight291.54 g/mol
Exact Mass289.96
IUPAC Name2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)c(Br)cc1O
InChIInChI=1S/C8H8BrClN4O/c9-5-2-7(15)4(1-6(5)10)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14)
InChIKeyXAIAMDZAIUQJNL-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'}

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Related Compounds

2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine
CID 168591195
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592804
2-[(E)-(2-bromo-4-iodophenyl)methylideneamino]guanidine
CID 10155813
2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 171369925
2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
CID 140863883
2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine
CID 168591166
2-[2-bromo-4-chloro-6-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetic acid
CID 168592587
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol
CID 168628389
2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
CID 140931951
2-[(3,5-dichlorophenyl)methylideneamino]guanidine
CID 66842284

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine (CID 168591189) is 2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1cc(Cl)c(Br)cc1O.
What is the InChIKey of 2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is XAIAMDZAIUQJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN4O/c9-5-2-7(15)4(1-6(5)10)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14).
What are the key properties of 2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
2-[(4-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-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).