1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone

C14H11N3O6 — CID 175319505

IUPAC1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone
SMILESNc1cc([N+](=O)[O-])ccc1C(=O)C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O6/c15-12-7-10(17(22)23)5-6-11(12)14(19)13(18)8-1-3-9(4-2-8)16(20)21/h1-7,13,18H,15H2
InChIKeyRYQRMZTZQIPJET-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.00
Rot. Bonds5

About 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone

1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone (PubChem CID 175319505) has the molecular formula C14H11N3O6 and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone
PubChem CID175319505
Molecular FormulaC14H11N3O6
Molecular Weight317.26 g/mol
Exact Mass317.06
IUPAC Name1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone
SMILESNc1cc([N+](=O)[O-])ccc1C(=O)C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O6/c15-12-7-10(17(22)23)5-6-11(12)14(19)13(18)8-1-3-9(4-2-8)16(20)21/h1-7,13,18H,15H2
InChIKeyRYQRMZTZQIPJET-UHFFFAOYSA-N
XLogP2.00
TPSA149.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-nitrobenzohydrazide
CID 3575645
2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide
CID 139822137
[(2-amino-4-nitrophenyl)-carboxymethylidene]-methylazanium
CID 145476793
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
bis(4-nitrophenyl)methanol
CID 12768612
[(1R)-1-cyanoethyl] 2-amino-4-nitrobenzoate
CID 32739392
2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide
CID 145125005
potassium 2-amino-5-nitrobenzoate
CID 171152190
2-amino-N-but-3-ynyl-4-nitrobenzohydrazide
CID 145124974
3-[hydroxy-(4-nitrophenyl)methyl]but-3-en-2-one
CID 11138668
2-amino-N-methyl-4-nitrobenzenecarbothiohydrazide
CID 145125100
(2-amino-4-nitrophenyl)-pyridin-2-ylmethanone
CID 118836157

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone?
The IUPAC name of 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone (CID 175319505) is 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone is Nc1cc([N+](=O)[O-])ccc1C(=O)C(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone?
The InChIKey is RYQRMZTZQIPJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O6/c15-12-7-10(17(22)23)5-6-11(12)14(19)13(18)8-1-3-9(4-2-8)16(20)21/h1-7,13,18H,15H2.
What are the key properties of 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone?
1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone has a molecular weight of 317.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone is sourced from PubChem (CID 175319505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).