N'-hydroxybutanediimidoyl dibromide

C4H6Br2N2O — CID 175095164

IUPACN'-hydroxybutanediimidoyl dibromide
SMILES[H]/N=C(\Br)CCC(Br)=NO
InChIInChI=1S/C4H6Br2N2O/c5-3(7)1-2-4(6)8-9/h7,9H,1-2H2/b7-3-,8-4?
InChIKeyCJWMORBQHIBEGX-VMAKRXLWSA-N
MW257.91 g/mol
LogP2.32
Rot. Bonds3

About N'-hydroxybutanediimidoyl dibromide

N'-hydroxybutanediimidoyl dibromide (PubChem CID 175095164) has the molecular formula C4H6Br2N2O and a molecular weight of 257.91 g/mol. Its IUPAC name is N'-hydroxybutanediimidoyl dibromide.

Molecular Properties

Compound NameN'-hydroxybutanediimidoyl dibromide
PubChem CID175095164
Molecular FormulaC4H6Br2N2O
Molecular Weight257.91 g/mol
Exact Mass255.88
IUPAC NameN'-hydroxybutanediimidoyl dibromide
SMILES[H]/N=C(\Br)CCC(Br)=NO
InChIInChI=1S/C4H6Br2N2O/c5-3(7)1-2-4(6)8-9/h7,9H,1-2H2/b7-3-,8-4?
InChIKeyCJWMORBQHIBEGX-VMAKRXLWSA-N
XLogP2.32
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.91
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N'-hydroxybutanediimidoyl dibromide?
The IUPAC name of N'-hydroxybutanediimidoyl dibromide (CID 175095164) is N'-hydroxybutanediimidoyl dibromide.
What is the SMILES notation for N'-hydroxybutanediimidoyl dibromide?
The canonical SMILES for N'-hydroxybutanediimidoyl dibromide is [H]/N=C(\Br)CCC(Br)=NO.
What is the InChIKey of N'-hydroxybutanediimidoyl dibromide?
The InChIKey is CJWMORBQHIBEGX-VMAKRXLWSA-N. The full InChI is InChI=1S/C4H6Br2N2O/c5-3(7)1-2-4(6)8-9/h7,9H,1-2H2/b7-3-,8-4?.
What are the key properties of N'-hydroxybutanediimidoyl dibromide?
N'-hydroxybutanediimidoyl dibromide has a molecular weight of 257.91 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxybutanediimidoyl dibromide is sourced from PubChem (CID 175095164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).