2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide

C7H6BrFN2O — CID 107275304

IUPAC2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(F)cc1Br
InChIInChI=1S/C7H6BrFN2O/c8-6-3-4(9)1-2-5(6)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKeySGQWWNOBRFLDHP-UHFFFAOYSA-N
MW233.04 g/mol
LogP1.68
Rot. Bonds1

About 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide

2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107275304) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107275304
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(F)cc1Br
InChIInChI=1S/C7H6BrFN2O/c8-6-3-4(9)1-2-5(6)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKeySGQWWNOBRFLDHP-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

N'-amino-2-bromo-4-fluorobenzenecarboximidamide
CID 61360545
2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279000
2-(2-bromo-4-fluorophenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916330
2-bromo-4-(2-bromo-5-fluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536236
2-(2-bromophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004436
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279072
5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 83136108
4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide
CID 107278596
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107278941
2-bromo-4-fluorobenzohydrazide
CID 16780865

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide (CID 107275304) is 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is SGQWWNOBRFLDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c8-6-3-4(9)1-2-5(6)7(10)11-12/h1-3,12H,(H2,10,11).
What are the key properties of 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide?
2-bromo-4-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 2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107275304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).