3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide

C9H9BrFNO4 — CID 171869399

IUPAC3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Br)cc(F)c1O
InChIInChI=1S/C9H9BrFNO4/c10-3-1-4(6(13)5(11)2-3)7(14)8(15)9(12)16/h1-2,7-8,13-15H,(H2,12,16)
InChIKeyWCIBHQVPDLHHKP-UHFFFAOYSA-N
MW294.08 g/mol
LogP0.17
Rot. Bonds3

About 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide

3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171869399) has the molecular formula C9H9BrFNO4 and a molecular weight of 294.08 g/mol. Its IUPAC name is 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171869399
Molecular FormulaC9H9BrFNO4
Molecular Weight294.08 g/mol
Exact Mass292.97
IUPAC Name3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Br)cc(F)c1O
InChIInChI=1S/C9H9BrFNO4/c10-3-1-4(6(13)5(11)2-3)7(14)8(15)9(12)16/h1-2,7-8,13-15H,(H2,12,16)
InChIKeyWCIBHQVPDLHHKP-UHFFFAOYSA-N
XLogP0.17
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.08
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide (CID 171869399) is 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(Br)cc(F)c1O.
What is the InChIKey of 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is WCIBHQVPDLHHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO4/c10-3-1-4(6(13)5(11)2-3)7(14)8(15)9(12)16/h1-2,7-8,13-15H,(H2,12,16).
What are the key properties of 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 294.08 g/mol, XLogP of 0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).