3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide

C10H10FNO5 — CID 171868435

IUPAC3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C10H10FNO5/c11-6-2-4(1-5(3-13)7(6)14)8(15)9(16)10(12)17/h1-3,8-9,14-16H,(H2,12,17)
InChIKeyBJYWRCAVKUNXPW-UHFFFAOYSA-N
MW243.19 g/mol
LogP-0.78
Rot. Bonds4

About 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide

3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171868435) has the molecular formula C10H10FNO5 and a molecular weight of 243.19 g/mol. Its IUPAC name is 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171868435
Molecular FormulaC10H10FNO5
Molecular Weight243.19 g/mol
Exact Mass243.05
IUPAC Name3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C10H10FNO5/c11-6-2-4(1-5(3-13)7(6)14)8(15)9(16)10(12)17/h1-3,8-9,14-16H,(H2,12,17)
InChIKeyBJYWRCAVKUNXPW-UHFFFAOYSA-N
XLogP-0.78
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide (CID 171868435) is 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(F)c(O)c(C=O)c1.
What is the InChIKey of 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is BJYWRCAVKUNXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO5/c11-6-2-4(1-5(3-13)7(6)14)8(15)9(16)10(12)17/h1-3,8-9,14-16H,(H2,12,17).
What are the key properties of 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide?
3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 243.19 g/mol, XLogP of -0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).