3-bromofuran-2-carboxylic acid

C5H3BrO3 — CID 605479

IUPAC3-bromofuran-2-carboxylic acid
SMILESO=C(O)c1occc1Br
InChIInChI=1S/C5H3BrO3/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKeyUZBGSJZFBUOJNE-UHFFFAOYSA-N
MW190.98 g/mol
LogP1.74
Rot. Bonds1

About 3-bromofuran-2-carboxylic acid

3-bromofuran-2-carboxylic acid (PubChem CID 605479) has the molecular formula C5H3BrO3 and a molecular weight of 190.98 g/mol. Its IUPAC name is 3-bromofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-bromofuran-2-carboxylic acid
PubChem CID605479
Molecular FormulaC5H3BrO3
Molecular Weight190.98 g/mol
Exact Mass189.93
IUPAC Name3-bromofuran-2-carboxylic acid
SMILESO=C(O)c1occc1Br
InChIInChI=1S/C5H3BrO3/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKeyUZBGSJZFBUOJNE-UHFFFAOYSA-N
XLogP1.74
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.98
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromofuran-2-carboxylic acid?
The IUPAC name of 3-bromofuran-2-carboxylic acid (CID 605479) is 3-bromofuran-2-carboxylic acid.
What is the SMILES notation for 3-bromofuran-2-carboxylic acid?
The canonical SMILES for 3-bromofuran-2-carboxylic acid is O=C(O)c1occc1Br.
What is the InChIKey of 3-bromofuran-2-carboxylic acid?
The InChIKey is UZBGSJZFBUOJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrO3/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8).
What are the key properties of 3-bromofuran-2-carboxylic acid?
3-bromofuran-2-carboxylic acid has a molecular weight of 190.98 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromofuran-2-carboxylic acid is sourced from PubChem (CID 605479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).