2,5-dibromo-2H-pyran

C5H4Br2O — CID 90220773

IUPAC2,5-dibromo-2H-pyran
SMILESBrC1=COC(Br)C=C1
InChIInChI=1S/C5H4Br2O/c6-4-1-2-5(7)8-3-4/h1-3,5H
InChIKeyHTPZHLOWQXUCMN-UHFFFAOYSA-N
MW239.89 g/mol
LogP2.53
Rot. Bonds

About 2,5-dibromo-2H-pyran

2,5-dibromo-2H-pyran (PubChem CID 90220773) has the molecular formula C5H4Br2O and a molecular weight of 239.89 g/mol. Its IUPAC name is 2,5-dibromo-2H-pyran.

Molecular Properties

Compound Name2,5-dibromo-2H-pyran
PubChem CID90220773
Molecular FormulaC5H4Br2O
Molecular Weight239.89 g/mol
Exact Mass237.86
IUPAC Name2,5-dibromo-2H-pyran
SMILESBrC1=COC(Br)C=C1
InChIInChI=1S/C5H4Br2O/c6-4-1-2-5(7)8-3-4/h1-3,5H
InChIKeyHTPZHLOWQXUCMN-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.89
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-2H-pyran?
The IUPAC name of 2,5-dibromo-2H-pyran (CID 90220773) is 2,5-dibromo-2H-pyran.
What is the SMILES notation for 2,5-dibromo-2H-pyran?
The canonical SMILES for 2,5-dibromo-2H-pyran is BrC1=COC(Br)C=C1.
What is the InChIKey of 2,5-dibromo-2H-pyran?
The InChIKey is HTPZHLOWQXUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2O/c6-4-1-2-5(7)8-3-4/h1-3,5H.
What are the key properties of 2,5-dibromo-2H-pyran?
2,5-dibromo-2H-pyran has a molecular weight of 239.89 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-2H-pyran is sourced from PubChem (CID 90220773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).