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'}

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Related Compounds

5-(2-Amino-1-hydroxyethyl)-3-fluoro-2-hydroxybenzoic acid
CID 117306166
5-[Carboxy(hydroxy)methyl]-3-fluoro-2-hydroxybenzoic acid
CID 117331863
3-(3-Fluoro-5-formyl-4-hydroxyphenyl)prop-2-enamide
CID 169481983
4-(3-Fluoro-5-formyl-4-hydroxyphenyl)but-3-ynamide
CID 170473296
4-(3-Fluoro-5-formyl-4-hydroxyphenyl)but-3-enamide
CID 170798151
3-Fluoro-2-hydroxy-5-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818118
5-(1,2-Dihydroxy-3-sulfanylpropyl)-3-fluoro-2-hydroxybenzaldehyde
CID 170820148
3-(3-Fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanoic acid
CID 170824229
5-(3-Azido-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde
CID 170826293
5-(3-Amino-1,2-dihydroxypropyl)-3-fluoro-2-hydroxybenzaldehyde
CID 170828295
N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830330
tert-butyl N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832387

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).