3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide

C7H6BrClN2O — CID 115565457

IUPAC3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H6BrClN2O/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H,(H2,10,11)
InChIKeyHDOQMMMHTVIESB-UHFFFAOYSA-N
MW249.50 g/mol
LogP2.20
Rot. Bonds1

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

3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 115565457) has the molecular formula C7H6BrClN2O and a molecular weight of 249.50 g/mol. Its IUPAC name is 3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID115565457
Molecular FormulaC7H6BrClN2O
Molecular Weight249.50 g/mol
Exact Mass247.94
IUPAC Name3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H6BrClN2O/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H,(H2,10,11)
InChIKeyHDOQMMMHTVIESB-UHFFFAOYSA-N
XLogP2.20
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.50
LogP ≤ 52.20
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-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 130174117
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
3-bromo-4-(4-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799463
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
3,5-dibromo-N',4-dihydroxybenzenecarboximidamide
CID 135922656
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509
3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
CID 161088478
4-(3-bromophenyl)sulfanyl-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76999831
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
3-bromo-N'-hydroxy-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 82800121
3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 82799187

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide (CID 115565457) is 3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is HDOQMMMHTVIESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O/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-chloro-N'-hydroxybenzenecarboximidamide?
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 249.50 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 115565457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).