2-(2,4-dinitrophenyl)-2-hydroxyacetic acid

C8H6N2O7 — CID 166610284

IUPAC2-(2,4-dinitrophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H6N2O7/c11-7(8(12)13)5-2-1-4(9(14)15)3-6(5)10(16)17/h1-3,7,11H,(H,12,13)
InChIKeyBWQITYAOJPWJEL-UHFFFAOYSA-N
MW242.14 g/mol
LogP0.62
Rot. Bonds4

About 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid

2-(2,4-dinitrophenyl)-2-hydroxyacetic acid (PubChem CID 166610284) has the molecular formula C8H6N2O7 and a molecular weight of 242.14 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-2-hydroxyacetic acid
PubChem CID166610284
Molecular FormulaC8H6N2O7
Molecular Weight242.14 g/mol
Exact Mass242.02
IUPAC Name2-(2,4-dinitrophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H6N2O7/c11-7(8(12)13)5-2-1-4(9(14)15)3-6(5)10(16)17/h1-3,7,11H,(H,12,13)
InChIKeyBWQITYAOJPWJEL-UHFFFAOYSA-N
XLogP0.62
TPSA143.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 50.62
H-Bond Donors ≤ 52
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-[(2,4-dinitrophenyl)-hydroxymethyl]prop-2-enoic acid
CID 87543788
(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid
CID 131418621
(2S)-2-(2-chloro-5-nitrophenyl)-2-hydroxyacetic acid
CID 131292262
2-hydroxy-2-(4-nitro-2-propanoylphenyl)acetic acid
CID 134657907
1-(difluoromethyl)-2,4-dinitrobenzene
CID 154791323
2-[2-(3-bromo-2-oxopropyl)-4-nitrophenyl]-2-hydroxyacetic acid
CID 135741205
2-hydroxy-2-[2-nitro-4-(trifluoromethoxy)phenyl]acetic acid
CID 134656084
2-(4,5-dimethyl-2-nitrophenyl)-2-hydroxyacetic acid
CID 118806557
2-hydroxy-2-[5-nitro-2-(2-oxopropyl)phenyl]acetic acid
CID 134657937
2-[4-(3-bromo-2-oxopropyl)-2-nitrophenyl]-2-hydroxyacetic acid
CID 134657953
dimethyl 2-(2,4-dinitrophenyl)propanedioate
CID 3744583
1-(2,4-dinitrophenyl)but-3-en-1-ol
CID 10681381

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid (CID 166610284) is 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid?
The InChIKey is BWQITYAOJPWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O7/c11-7(8(12)13)5-2-1-4(9(14)15)3-6(5)10(16)17/h1-3,7,11H,(H,12,13).
What are the key properties of 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid?
2-(2,4-dinitrophenyl)-2-hydroxyacetic acid has a molecular weight of 242.14 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 166610284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).