2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine

C8H8BrFN4O — CID 91185838

IUPAC2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=NN=Cc1ccc(Br)cc1F)NO
InChIInChI=1S/C8H8BrFN4O/c9-6-2-1-5(7(10)3-6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)
InChIKeyZSIQTAPKSPPLOP-UHFFFAOYSA-N
MW275.08 g/mol
LogP1.22
Rot. Bonds2

About 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine

2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 91185838) has the molecular formula C8H8BrFN4O and a molecular weight of 275.08 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID91185838
Molecular FormulaC8H8BrFN4O
Molecular Weight275.08 g/mol
Exact Mass273.99
IUPAC Name2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=NN=Cc1ccc(Br)cc1F)NO
InChIInChI=1S/C8H8BrFN4O/c9-6-2-1-5(7(10)3-6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)
InChIKeyZSIQTAPKSPPLOP-UHFFFAOYSA-N
XLogP1.22
TPSA83.00 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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 139982870
2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
CID 72952246
2-[(E)-(4-bromo-3-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023981
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173024102
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 135435056
benzyl N'-[(4-bromo-2-fluorophenyl)methylideneamino]carbamimidothioate
CID 168610956
2-[(2-fluoro-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 90876369
1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 172935906
1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 172962285
2-[(E)-(2,5-difluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 139982818
2-[(2-fluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 85078649

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine (CID 91185838) is 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine is NC(=NN=Cc1ccc(Br)cc1F)NO.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is ZSIQTAPKSPPLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN4O/c9-6-2-1-5(7(10)3-6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine?
2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 275.08 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 91185838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).