5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide

C7H6BrFN2O — CID 123754109

IUPAC5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Br)ccc1F
InChIInChI=1S/C7H6BrFN2O/c8-4-1-2-6(9)5(3-4)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKeyQKTWSAHXFBJDFM-UHFFFAOYSA-N
MW233.04 g/mol
LogP1.68
Rot. Bonds1

About 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide

5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 123754109) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID123754109
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Br)ccc1F
InChIInChI=1S/C7H6BrFN2O/c8-4-1-2-6(9)5(3-4)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKeyQKTWSAHXFBJDFM-UHFFFAOYSA-N
XLogP1.68
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 51.68
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
CID 76953114
5-bromo-N'-hydroxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 114893539
2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 57364800
4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 146014259
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
4-(5-bromo-2-fluorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 114673566
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 123754109) is 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is QKTWSAHXFBJDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c8-4-1-2-6(9)5(3-4)7(10)11-12/h1-3,12H,(H2,10,11).
What are the key properties of 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide?
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 233.04 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 123754109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).