2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid

C8H5F2NO5 — CID 119021216

IUPAC2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C8H5F2NO5/c9-3-1-4(7(12)8(13)14)6(10)5(2-3)11(15)16/h1-2,7,12H,(H,13,14)
InChIKeyHCXXQHTXQYGGOF-UHFFFAOYSA-N
MW233.13 g/mol
LogP0.99
Rot. Bonds3

About 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid

2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid (PubChem CID 119021216) has the molecular formula C8H5F2NO5 and a molecular weight of 233.13 g/mol. Its IUPAC name is 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid
PubChem CID119021216
Molecular FormulaC8H5F2NO5
Molecular Weight233.13 g/mol
Exact Mass233.01
IUPAC Name2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C8H5F2NO5/c9-3-1-4(7(12)8(13)14)6(10)5(2-3)11(15)16/h1-2,7,12H,(H,13,14)
InChIKeyHCXXQHTXQYGGOF-UHFFFAOYSA-N
XLogP0.99
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-fluoro-5-methyl-3-nitrophenyl)-2-hydroxyacetic acid
CID 131566605
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
(2S)-2-(2,3-difluoro-5-nitrophenyl)-2-hydroxyacetic acid
CID 125129452
2-(4,5-dimethyl-2-nitrophenyl)-2-hydroxyacetic acid
CID 118806557
2-(2,4-dinitrophenyl)-2-hydroxyacetic acid
CID 166610284
2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119002363
(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid
CID 131418621
(2S)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 131433935
3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868869
2-(4-bromo-3-fluoro-5-nitrophenyl)-2-hydroxyacetic acid
CID 131270724
2-(2-bromo-4-methyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119015806

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid (CID 119021216) is 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(F)cc([N+](=O)[O-])c1F.
What is the InChIKey of 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid?
The InChIKey is HCXXQHTXQYGGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO5/c9-3-1-4(7(12)8(13)14)6(10)5(2-3)11(15)16/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid?
2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid has a molecular weight of 233.13 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 119021216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).