2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine

C8H8BrFN4 — CID 168592111

IUPAC2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(F)c1Br
InChIInChI=1S/C8H8BrFN4/c9-7-5(2-1-3-6(7)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
InChIKeyWWUGJEMYWOHQNE-UHFFFAOYSA-N
MW259.08 g/mol
LogP1.20
Rot. Bonds2

About 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine

2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine (PubChem CID 168592111) has the molecular formula C8H8BrFN4 and a molecular weight of 259.08 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine
PubChem CID168592111
Molecular FormulaC8H8BrFN4
Molecular Weight259.08 g/mol
Exact Mass257.99
IUPAC Name2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(F)c1Br
InChIInChI=1S/C8H8BrFN4/c9-7-5(2-1-3-6(7)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
InChIKeyWWUGJEMYWOHQNE-UHFFFAOYSA-N
XLogP1.20
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 51.20
H-Bond Donors ≤ 52
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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Related Compounds

2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine;hydrochloride
CID 44542175
2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine
CID 44542176
2-[(E)-(4-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 56642875
2-[(E)-(2-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 88194823
1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine
CID 10273826
2-[(E)-(2,4-difluorophenyl)methylideneamino]guanidine;hydrochloride
CID 71584304
2-[(E)-(2-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 71716508
2-[(E)-(4-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 71720158
2-[(E)-(3-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 87880607
2-[(E)-(3-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 134154169
(2E)-2-(4-bromobenzylidene)hydrazinecarboximidamide
CID 9561657
1-{[(2-Bromophenyl)methylidene]amino}guanidine
CID 9559695

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine (CID 168592111) is 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine is NC(N)=NN=Cc1cccc(F)c1Br.
What is the InChIKey of 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine?
The InChIKey is WWUGJEMYWOHQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN4/c9-7-5(2-1-3-6(7)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14).
What are the key properties of 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine?
2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine has a molecular weight of 259.08 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-fluorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).