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

C9H10BrNO4 — CID 71721725

IUPAC3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1cc(Br)ccc1O)NO
InChIInChI=1S/C9H10BrNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14)
InChIKeySSGOYCQTCIKAIL-UHFFFAOYSA-N
MW276.09 g/mol
LogP1.08
Rot. Bonds3

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

3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide (PubChem CID 71721725) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide
PubChem CID71721725
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1cc(Br)ccc1O)NO
InChIInChI=1S/C9H10BrNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14)
InChIKeySSGOYCQTCIKAIL-UHFFFAOYSA-N
XLogP1.08
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide (CID 71721725) is 3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide is O=C(CC(O)c1cc(Br)ccc1O)NO.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
The InChIKey is SSGOYCQTCIKAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide has a molecular weight of 276.09 g/mol, XLogP of 1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide is sourced from PubChem (CID 71721725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).