2-bromo-5-methylfuran

C5H5BrO — CID 638448

IUPAC2-bromo-5-methylfuran
SMILESCc1ccc(Br)o1
InChIInChI=1S/C5H5BrO/c1-4-2-3-5(6)7-4/h2-3H,1H3
InChIKeyVWGRESZTMULPDE-UHFFFAOYSA-N
MW161.00 g/mol
LogP2.35
Rot. Bonds

About 2-bromo-5-methylfuran

2-bromo-5-methylfuran (PubChem CID 638448) has the molecular formula C5H5BrO and a molecular weight of 161.00 g/mol. Its IUPAC name is 2-bromo-5-methylfuran.

Molecular Properties

Compound Name2-bromo-5-methylfuran
PubChem CID638448
Molecular FormulaC5H5BrO
Molecular Weight161.00 g/mol
Exact Mass159.95
IUPAC Name2-bromo-5-methylfuran
SMILESCc1ccc(Br)o1
InChIInChI=1S/C5H5BrO/c1-4-2-3-5(6)7-4/h2-3H,1H3
InChIKeyVWGRESZTMULPDE-UHFFFAOYSA-N
XLogP2.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.00
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylfuran?
The IUPAC name of 2-bromo-5-methylfuran (CID 638448) is 2-bromo-5-methylfuran.
What is the SMILES notation for 2-bromo-5-methylfuran?
The canonical SMILES for 2-bromo-5-methylfuran is Cc1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-methylfuran?
The InChIKey is VWGRESZTMULPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrO/c1-4-2-3-5(6)7-4/h2-3H,1H3.
What are the key properties of 2-bromo-5-methylfuran?
2-bromo-5-methylfuran has a molecular weight of 161.00 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylfuran is sourced from PubChem (CID 638448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).