2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid

C8H7N3O5 — CID 117061946

IUPAC2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7N3O5/c12-7(8(13)14)10-9-5-1-3-6(4-2-5)11(15)16/h1-4,9H,(H,10,12)(H,13,14)
InChIKeyIOJNINOELWRHNJ-UHFFFAOYSA-N
MW225.16 g/mol
LogP0.12
Rot. Bonds3

About 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid

2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid (PubChem CID 117061946) has the molecular formula C8H7N3O5 and a molecular weight of 225.16 g/mol. Its IUPAC name is 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid
PubChem CID117061946
Molecular FormulaC8H7N3O5
Molecular Weight225.16 g/mol
Exact Mass225.04
IUPAC Name2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7N3O5/c12-7(8(13)14)10-9-5-1-3-6(4-2-5)11(15)16/h1-4,9H,(H,10,12)(H,13,14)
InChIKeyIOJNINOELWRHNJ-UHFFFAOYSA-N
XLogP0.12
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

benzyl N-(4-nitroanilino)carbamate
CID 101274161
N'-(4-nitrophenyl)pyridine-4-carbohydrazide
CID 21205889
(4-nitroanilino) carbonochloridate
CID 123545253
N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide
CID 141450120
2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide
CID 71375183
1-(4-aminoperoxyanilino)-3-(4-nitroanilino)urea
CID 22948562
N'-methyl-N-(4-nitroanilino)benzenecarboximidamide
CID 14906458
(1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide
CID 98215452
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659
(4-nitrophenyl)methyl N-(4-nitroanilino)carbamodithioate
CID 15397959
3,5-dinitro-N'-phenylbenzohydrazide
CID 78774569
N-bromo-4-nitroaniline
CID 54285277

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid (CID 117061946) is 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid is O=C(O)C(=O)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid?
The InChIKey is IOJNINOELWRHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O5/c12-7(8(13)14)10-9-5-1-3-6(4-2-5)11(15)16/h1-4,9H,(H,10,12)(H,13,14).
What are the key properties of 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid?
2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid has a molecular weight of 225.16 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid is sourced from PubChem (CID 117061946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).