3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid

C7H6Br2O4 — CID 165493154

IUPAC3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1cc(Br)c(Br)o1
InChIInChI=1S/C7H6Br2O4/c8-4-1-3(13-6(4)9)2-5(10)7(11)12/h1,5,10H,2H2,(H,11,12)
InChIKeyDJDXDHPPRSMGEU-UHFFFAOYSA-N
MW313.93 g/mol
LogP1.79
Rot. Bonds3

About 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid

3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid (PubChem CID 165493154) has the molecular formula C7H6Br2O4 and a molecular weight of 313.93 g/mol. Its IUPAC name is 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid
PubChem CID165493154
Molecular FormulaC7H6Br2O4
Molecular Weight313.93 g/mol
Exact Mass311.86
IUPAC Name3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1cc(Br)c(Br)o1
InChIInChI=1S/C7H6Br2O4/c8-4-1-3(13-6(4)9)2-5(10)7(11)12/h1,5,10H,2H2,(H,11,12)
InChIKeyDJDXDHPPRSMGEU-UHFFFAOYSA-N
XLogP1.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.93
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid (CID 165493154) is 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid is O=C(O)C(O)Cc1cc(Br)c(Br)o1.
What is the InChIKey of 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid?
The InChIKey is DJDXDHPPRSMGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O4/c8-4-1-3(13-6(4)9)2-5(10)7(11)12/h1,5,10H,2H2,(H,11,12).
What are the key properties of 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid?
3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid has a molecular weight of 313.93 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dibromofuran-2-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 165493154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).