2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine

C8H8BrClN4O — CID 168591195

IUPAC2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1c(O)ccc(Cl)c1Br
InChIInChI=1S/C8H8BrClN4O/c9-7-4(3-13-14-8(11)12)6(15)2-1-5(7)10/h1-3,15H,(H4,11,12,14)
InChIKeyUVQXXUVUDNRREO-UHFFFAOYSA-N
MW291.54 g/mol
LogP1.42
Rot. Bonds2

About 2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine

2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 168591195) has the molecular formula C8H8BrClN4O and a molecular weight of 291.54 g/mol. Its IUPAC name is 2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine
PubChem CID168591195
Molecular FormulaC8H8BrClN4O
Molecular Weight291.54 g/mol
Exact Mass289.96
IUPAC Name2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1c(O)ccc(Cl)c1Br
InChIInChI=1S/C8H8BrClN4O/c9-7-4(3-13-14-8(11)12)6(15)2-1-5(7)10/h1-3,15H,(H4,11,12,14)
InChIKeyUVQXXUVUDNRREO-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-[(2-bromo-3-chloro-6-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-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168591189
2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine
CID 168591129
2-[(5-chloro-1-benzofuran-4-yl)methylideneamino]guanidine
CID 175711772
2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine
CID 168591166
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-3-bromo-4-chlorophenol
CID 168631325
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
CID 140863883
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816
2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592804
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 10060509
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine (CID 168591195) is 2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1c(O)ccc(Cl)c1Br.
What is the InChIKey of 2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is UVQXXUVUDNRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN4O/c9-7-4(3-13-14-8(11)12)6(15)2-1-5(7)10/h1-3,15H,(H4,11,12,14).
What are the key properties of 2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine?
2-[(2-bromo-3-chloro-6-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-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).