4-bromo-N'-hydroxybenzenecarboximidamide

C7H7BrN2O — CID 2756838

IUPAC4-bromo-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKeyKCHIZOZPSSURRB-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.54
Rot. Bonds1

About 4-bromo-N'-hydroxybenzenecarboximidamide

4-bromo-N'-hydroxybenzenecarboximidamide (PubChem CID 2756838) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 4-bromo-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-hydroxybenzenecarboximidamide
PubChem CID2756838
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name4-bromo-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKeyKCHIZOZPSSURRB-UHFFFAOYSA-N
XLogP1.54
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-N'-hydroxybenzenecarboximidamide (CID 2756838) is 4-bromo-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-hydroxybenzenecarboximidamide?
The InChIKey is KCHIZOZPSSURRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10).
What are the key properties of 4-bromo-N'-hydroxybenzenecarboximidamide?
4-bromo-N'-hydroxybenzenecarboximidamide has a molecular weight of 215.05 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 2756838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).