2,2-dibromo-N'-hydroxyethanimidamide

C2H4Br2N2O — CID 5103413

IUPAC2,2-dibromo-N'-hydroxyethanimidamide
SMILESNC(=NO)C(Br)Br
InChIInChI=1S/C2H4Br2N2O/c3-1(4)2(5)6-7/h1,7H,(H2,5,6)
InChIKeyLQGNLOVYFHFVIT-UHFFFAOYSA-N
MW231.88 g/mol
LogP0.85
Rot. Bonds1

About 2,2-dibromo-N'-hydroxyethanimidamide

2,2-dibromo-N'-hydroxyethanimidamide (PubChem CID 5103413) has the molecular formula C2H4Br2N2O and a molecular weight of 231.88 g/mol. Its IUPAC name is 2,2-dibromo-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2,2-dibromo-N'-hydroxyethanimidamide
PubChem CID5103413
Molecular FormulaC2H4Br2N2O
Molecular Weight231.88 g/mol
Exact Mass229.87
IUPAC Name2,2-dibromo-N'-hydroxyethanimidamide
SMILESNC(=NO)C(Br)Br
InChIInChI=1S/C2H4Br2N2O/c3-1(4)2(5)6-7/h1,7H,(H2,5,6)
InChIKeyLQGNLOVYFHFVIT-UHFFFAOYSA-N
XLogP0.85
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.88
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2,2-dibromo-N'-hydroxyethanimidamide?
The IUPAC name of 2,2-dibromo-N'-hydroxyethanimidamide (CID 5103413) is 2,2-dibromo-N'-hydroxyethanimidamide.
What is the SMILES notation for 2,2-dibromo-N'-hydroxyethanimidamide?
The canonical SMILES for 2,2-dibromo-N'-hydroxyethanimidamide is NC(=NO)C(Br)Br.
What is the InChIKey of 2,2-dibromo-N'-hydroxyethanimidamide?
The InChIKey is LQGNLOVYFHFVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2N2O/c3-1(4)2(5)6-7/h1,7H,(H2,5,6).
What are the key properties of 2,2-dibromo-N'-hydroxyethanimidamide?
2,2-dibromo-N'-hydroxyethanimidamide has a molecular weight of 231.88 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-N'-hydroxyethanimidamide is sourced from PubChem (CID 5103413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).