2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine

C7H7BrFN3O — CID 104781658

IUPAC2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccc(F)c(Br)c1)NO
InChIInChI=1S/C7H7BrFN3O/c8-5-3-4(1-2-6(5)9)11-7(10)12-13/h1-3,13H,(H3,10,11,12)
InChIKeyMSCOAKIRNXEKSU-UHFFFAOYSA-N
MW248.06 g/mol
LogP1.51
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine

2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine (PubChem CID 104781658) has the molecular formula C7H7BrFN3O and a molecular weight of 248.06 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine
PubChem CID104781658
Molecular FormulaC7H7BrFN3O
Molecular Weight248.06 g/mol
Exact Mass246.98
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccc(F)c(Br)c1)NO
InChIInChI=1S/C7H7BrFN3O/c8-5-3-4(1-2-6(5)9)11-7(10)12-13/h1-3,13H,(H3,10,11,12)
InChIKeyMSCOAKIRNXEKSU-UHFFFAOYSA-N
XLogP1.51
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 51.51
H-Bond Donors ≤ 53
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-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine
CID 102855074
N'-(3-bromo-4-fluorophenyl)-4-[(N'-cyclohexylcarbamimidoyl)amino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 137280149
4-aminooxy-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 138737795
1-N'-(3-bromo-4-fluorophenyl)-3-N-hydroxy-2-imino-3-N'-propylpropanediimidamide
CID 139381501
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
3-bromo-4-fluorobenzenecarbothioamide
CID 79023809
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine
CID 62481468
2-[4-[2-[4-[[amino-(hydroxyamino)methylidene]amino]phenyl]ethyl]phenyl]-1-hydroxyguanidine;hydrochloride
CID 71717582
N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide
CID 155167235
2-(2,4-dibromophenyl)-1-hydroxyguanidine
CID 62481697
4-[2-[[amino-[(N'-methylcarbamimidoyl)amino]methylidene]amino]ethylsulfanyl]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CID 137298211
N-[4-[N'-(3-bromo-4-fluorophenyl)carbamimidoyl]-1,2,5-oxadiazol-3-yl]-4-phenylbenzamide
CID 70642311

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine (CID 104781658) is 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine is N/C(=N\c1ccc(F)c(Br)c1)NO.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine?
The InChIKey is MSCOAKIRNXEKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN3O/c8-5-3-4(1-2-6(5)9)11-7(10)12-13/h1-3,13H,(H3,10,11,12).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine?
2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine has a molecular weight of 248.06 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-hydroxyguanidine is sourced from PubChem (CID 104781658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).