2-bromo-3,5-dinitrofuran

C4HBrN2O5 — CID 12501555

IUPAC2-bromo-3,5-dinitrofuran
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Br)o1
InChIInChI=1S/C4HBrN2O5/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H
InChIKeyKCTZEBOLCMCOAI-UHFFFAOYSA-N
MW236.96 g/mol
LogP1.86
Rot. Bonds2

About 2-bromo-3,5-dinitrofuran

2-bromo-3,5-dinitrofuran (PubChem CID 12501555) has the molecular formula C4HBrN2O5 and a molecular weight of 236.96 g/mol. Its IUPAC name is 2-bromo-3,5-dinitrofuran.

Molecular Properties

Compound Name2-bromo-3,5-dinitrofuran
PubChem CID12501555
Molecular FormulaC4HBrN2O5
Molecular Weight236.96 g/mol
Exact Mass235.91
IUPAC Name2-bromo-3,5-dinitrofuran
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Br)o1
InChIInChI=1S/C4HBrN2O5/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H
InChIKeyKCTZEBOLCMCOAI-UHFFFAOYSA-N
XLogP1.86
TPSA99.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.96
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-bromo-3,5-dinitrofuran?
The IUPAC name of 2-bromo-3,5-dinitrofuran (CID 12501555) is 2-bromo-3,5-dinitrofuran.
What is the SMILES notation for 2-bromo-3,5-dinitrofuran?
The canonical SMILES for 2-bromo-3,5-dinitrofuran is O=[N+]([O-])c1cc([N+](=O)[O-])c(Br)o1.
What is the InChIKey of 2-bromo-3,5-dinitrofuran?
The InChIKey is KCTZEBOLCMCOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrN2O5/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H.
What are the key properties of 2-bromo-3,5-dinitrofuran?
2-bromo-3,5-dinitrofuran has a molecular weight of 236.96 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-dinitrofuran is sourced from PubChem (CID 12501555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).