3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide

C9H9FN2O6 — CID 171868869

IUPAC3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C9H9FN2O6/c10-3-1-4(7(14)8(15)9(11)16)6(13)5(2-3)12(17)18/h1-2,7-8,13-15H,(H2,11,16)
InChIKeyYHLWUZRAQULIKE-UHFFFAOYSA-N
MW260.18 g/mol
LogP-0.68
Rot. Bonds4

About 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide

3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide (PubChem CID 171868869) has the molecular formula C9H9FN2O6 and a molecular weight of 260.18 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide
PubChem CID171868869
Molecular FormulaC9H9FN2O6
Molecular Weight260.18 g/mol
Exact Mass260.04
IUPAC Name3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C9H9FN2O6/c10-3-1-4(7(14)8(15)9(11)16)6(13)5(2-3)12(17)18/h1-2,7-8,13-15H,(H2,11,16)
InChIKeyYHLWUZRAQULIKE-UHFFFAOYSA-N
XLogP-0.68
TPSA146.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluoro-6-nitrophenol
CID 66511647
methyl 3-(5-fluoro-2-methyl-3-nitrophenyl)-2,3-dihydroxypropanoate
CID 171864724
ethyl (3S)-3-amino-2-fluoro-3-(5-fluoro-2-hydroxy-3-nitrophenyl)propanoate
CID 171258844
methyl (3S)-3-amino-3-(5-fluoro-2-hydroxy-3-nitrophenyl)propanoate;hydrochloride
CID 171255458
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-nitrophenol
CID 171255475
2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 119021216
4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899844
2-[(1R)-1-amino-3-methylbut-3-enyl]-4-fluoro-6-nitrophenol;hydrochloride
CID 171258847
2-[(S)-amino(thiophen-2-yl)methyl]-4-fluoro-6-nitrophenol
CID 171258822
3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868874
3-(4-acetyl-2-nitrophenyl)-2,3-dihydroxypropanamide
CID 171869098
2-[(1S)-1-aminopent-4-enyl]-4-fluoro-6-nitrophenol;hydrochloride
CID 171255499

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide (CID 171868869) is 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(F)cc([N+](=O)[O-])c1O.
What is the InChIKey of 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide?
The InChIKey is YHLWUZRAQULIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O6/c10-3-1-4(7(14)8(15)9(11)16)6(13)5(2-3)12(17)18/h1-2,7-8,13-15H,(H2,11,16).
What are the key properties of 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide?
3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide has a molecular weight of 260.18 g/mol, XLogP of -0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).