3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide

C7H8BrNO4 — CID 171869605

IUPAC3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1occc1Br
InChIInChI=1S/C7H8BrNO4/c8-3-1-2-13-6(3)4(10)5(11)7(9)12/h1-2,4-5,10-11H,(H2,9,12)
InChIKeyBMEWMXPTVSDSQW-UHFFFAOYSA-N
MW250.05 g/mol
LogP-0.08
Rot. Bonds3

About 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide

3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide (PubChem CID 171869605) has the molecular formula C7H8BrNO4 and a molecular weight of 250.05 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide
PubChem CID171869605
Molecular FormulaC7H8BrNO4
Molecular Weight250.05 g/mol
Exact Mass248.96
IUPAC Name3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1occc1Br
InChIInChI=1S/C7H8BrNO4/c8-3-1-2-13-6(3)4(10)5(11)7(9)12/h1-2,4-5,10-11H,(H2,9,12)
InChIKeyBMEWMXPTVSDSQW-UHFFFAOYSA-N
XLogP-0.08
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.05
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide (CID 171869605) is 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1occc1Br.
What is the InChIKey of 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide?
The InChIKey is BMEWMXPTVSDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO4/c8-3-1-2-13-6(3)4(10)5(11)7(9)12/h1-2,4-5,10-11H,(H2,9,12).
What are the key properties of 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide?
3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide has a molecular weight of 250.05 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).