2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine

C8H8BrFN4O — CID 168591166

IUPAC2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1c(O)cc(F)cc1Br
InChIInChI=1S/C8H8BrFN4O/c9-6-1-4(10)2-7(15)5(6)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14)
InChIKeyHECJOKUQOWMDGZ-UHFFFAOYSA-N
MW275.08 g/mol
LogP0.90
Rot. Bonds2

About 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine

2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 168591166) has the molecular formula C8H8BrFN4O and a molecular weight of 275.08 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine
PubChem CID168591166
Molecular FormulaC8H8BrFN4O
Molecular Weight275.08 g/mol
Exact Mass273.99
IUPAC Name2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1c(O)cc(F)cc1Br
InChIInChI=1S/C8H8BrFN4O/c9-6-1-4(10)2-7(15)5(6)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14)
InChIKeyHECJOKUQOWMDGZ-UHFFFAOYSA-N
XLogP0.90
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.08
LogP ≤ 50.90
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-4-fluoro-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-2,3,6-trifluorophenyl)methylideneamino]guanidine
CID 168592496
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592804
2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine
CID 168591129
2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine
CID 168591195
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168591189
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-(aminomethyl)-3-bromo-5-fluorophenol
CID 119001457
2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
CID 140931951
2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine
CID 168592471
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine (CID 168591166) is 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1c(O)cc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is HECJOKUQOWMDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN4O/c9-6-1-4(10)2-7(15)5(6)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14).
What are the key properties of 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine?
2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine has a molecular weight of 275.08 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).