3-bromo-3,6-dihydro-2H-pyran

C5H7BrO — CID 22595336

IUPAC3-bromo-3,6-dihydro-2H-pyran
SMILESBrC1C=CCOC1
InChIInChI=1S/C5H7BrO/c6-5-2-1-3-7-4-5/h1-2,5H,3-4H2
InChIKeyZMBSGZJODLPCCQ-UHFFFAOYSA-N
MW163.01 g/mol
LogP1.34
Rot. Bonds

About 3-bromo-3,6-dihydro-2H-pyran

3-bromo-3,6-dihydro-2H-pyran (PubChem CID 22595336) has the molecular formula C5H7BrO and a molecular weight of 163.01 g/mol. Its IUPAC name is 3-bromo-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-bromo-3,6-dihydro-2H-pyran
PubChem CID22595336
Molecular FormulaC5H7BrO
Molecular Weight163.01 g/mol
Exact Mass161.97
IUPAC Name3-bromo-3,6-dihydro-2H-pyran
SMILESBrC1C=CCOC1
InChIInChI=1S/C5H7BrO/c6-5-2-1-3-7-4-5/h1-2,5H,3-4H2
InChIKeyZMBSGZJODLPCCQ-UHFFFAOYSA-N
XLogP1.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-3,6-dihydro-2H-pyran?
The IUPAC name of 3-bromo-3,6-dihydro-2H-pyran (CID 22595336) is 3-bromo-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-bromo-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-bromo-3,6-dihydro-2H-pyran is BrC1C=CCOC1.
What is the InChIKey of 3-bromo-3,6-dihydro-2H-pyran?
The InChIKey is ZMBSGZJODLPCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrO/c6-5-2-1-3-7-4-5/h1-2,5H,3-4H2.
What are the key properties of 3-bromo-3,6-dihydro-2H-pyran?
3-bromo-3,6-dihydro-2H-pyran has a molecular weight of 163.01 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3,6-dihydro-2H-pyran is sourced from PubChem (CID 22595336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).