2-bromo-3-methylfuran

C5H5BrO — CID 14614859

IUPAC2-bromo-3-methylfuran
SMILESCc1ccoc1Br
InChIInChI=1S/C5H5BrO/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKeyNAJBSJDAKSSYFL-UHFFFAOYSA-N
MW161.00 g/mol
LogP2.35
Rot. Bonds

About 2-bromo-3-methylfuran

2-bromo-3-methylfuran (PubChem CID 14614859) has the molecular formula C5H5BrO and a molecular weight of 161.00 g/mol. Its IUPAC name is 2-bromo-3-methylfuran.

Molecular Properties

Compound Name2-bromo-3-methylfuran
PubChem CID14614859
Molecular FormulaC5H5BrO
Molecular Weight161.00 g/mol
Exact Mass159.95
IUPAC Name2-bromo-3-methylfuran
SMILESCc1ccoc1Br
InChIInChI=1S/C5H5BrO/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKeyNAJBSJDAKSSYFL-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-3-methylfuran?
The IUPAC name of 2-bromo-3-methylfuran (CID 14614859) is 2-bromo-3-methylfuran.
What is the SMILES notation for 2-bromo-3-methylfuran?
The canonical SMILES for 2-bromo-3-methylfuran is Cc1ccoc1Br.
What is the InChIKey of 2-bromo-3-methylfuran?
The InChIKey is NAJBSJDAKSSYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrO/c1-4-2-3-7-5(4)6/h2-3H,1H3.
What are the key properties of 2-bromo-3-methylfuran?
2-bromo-3-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-3-methylfuran is sourced from PubChem (CID 14614859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).