3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide

C7H6BrFN2O — CID 2756972

IUPAC3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(F)c(Br)c1
InChIInChI=1S/C7H6BrFN2O/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H,(H2,10,11)
InChIKeyVDRMGMVSAHIQPD-UHFFFAOYSA-N
MW233.04 g/mol
LogP1.68
Rot. Bonds1

About 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide

3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 2756972) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID2756972
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(F)c(Br)c1
InChIInChI=1S/C7H6BrFN2O/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H,(H2,10,11)
InChIKeyVDRMGMVSAHIQPD-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

3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
3-bromo-4-fluorobenzenecarbothioamide
CID 79023809
3-bromo-4-(2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82800024
3-bromo-4-(2-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82798618
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509
3-bromo-4-(4-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799463
3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide
CID 76644653
3,5-dibromo-N',4-dihydroxybenzenecarboximidamide
CID 135922656
4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 123403240

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide (CID 2756972) is 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is VDRMGMVSAHIQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H,(H2,10,11).
What are the key properties of 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide?
3-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 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 2756972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).