2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid

C14H11N3O4 — CID 13082265

IUPAC2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O4/c18-14(19)13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)17(20)21/h1-9,16H,(H,18,19)/b15-9+
InChIKeySNZXXONMLGADKF-OQLLNIDSSA-N
MW285.26 g/mol
LogP2.74
Rot. Bonds5

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

2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 13082265) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
PubChem CID13082265
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O4/c18-14(19)13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)17(20)21/h1-9,16H,(H,18,19)/b15-9+
InChIKeySNZXXONMLGADKF-OQLLNIDSSA-N
XLogP2.74
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.74
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'}

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Related Compounds

2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 5463188
2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 110840968
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
CID 11816613
4-nitro-N-[(Z)-[8-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]anthracen-1-yl]methylideneamino]aniline
CID 177457037
5-[[(4-nitrophenyl)hydrazinylidene]methyl]thiophene-2-carboxylic acid
CID 4732645
N-[(E)-1-benzothiophen-3-ylmethylideneamino]-4-nitroaniline
CID 56693529
2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid
CID 6303781
[4-[[4-benzoyloxy-3-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl]methyl]-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] benzoate
CID 56696784
2-bromo-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 139061463
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid (CID 13082265) is 2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid is O=C(O)c1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is SNZXXONMLGADKF-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-14(19)13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)17(20)21/h1-9,16H,(H,18,19)/b15-9+.
What are the key properties of 2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid?
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 285.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 13082265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).