(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid

C8H7N3O4 — CID 11816613

IUPAC(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7N3O4/c12-8(13)5-9-10-6-1-3-7(4-2-6)11(14)15/h1-5,10H,(H,12,13)/b9-5+
InChIKeyNQFFSDDUPKOACX-WEVVVXLNSA-N
MW209.16 g/mol
LogP1.08
Rot. Bonds4

About (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid

(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid (PubChem CID 11816613) has the molecular formula C8H7N3O4 and a molecular weight of 209.16 g/mol. Its IUPAC name is (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid.

Molecular Properties

Compound Name(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
PubChem CID11816613
Molecular FormulaC8H7N3O4
Molecular Weight209.16 g/mol
Exact Mass209.04
IUPAC Name(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7N3O4/c12-8(13)5-9-10-6-1-3-7(4-2-6)11(14)15/h1-5,10H,(H,12,13)/b9-5+
InChIKeyNQFFSDDUPKOACX-WEVVVXLNSA-N
XLogP1.08
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic 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

(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid
CID 2774696
(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
CID 141451524
(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate
CID 7164404
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
2-[(4-bromophenyl)hydrazinylidene]acetic acid
CID 67660176
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 13082265
5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
CID 131887668
4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
CID 70056050
5-[[(4-nitrophenyl)hydrazinylidene]methyl]thiophene-2-carboxylic acid
CID 4732645
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
N-[(E)-butylideneamino]-4-nitroaniline
CID 11095804
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid?
The IUPAC name of (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid (CID 11816613) is (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid.
What is the SMILES notation for (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid?
The canonical SMILES for (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid is O=C(O)/C=N/Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid?
The InChIKey is NQFFSDDUPKOACX-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H7N3O4/c12-8(13)5-9-10-6-1-3-7(4-2-6)11(14)15/h1-5,10H,(H,12,13)/b9-5+.
What are the key properties of (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid?
(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid has a molecular weight of 209.16 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid is sourced from PubChem (CID 11816613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).