4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate

C13H9N4O5- — CID 7311295

IUPAC4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
SMILESO=[N+]([O-])c1ccc([O-])c(/C=N\Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-13-6-5-10(16(19)20)7-9(13)8-14-15-11-3-1-2-4-12(11)17(21)22/h1-8,15,18H/p-1/b14-8-
InChIKeySCLSIWDYYARRJF-ZSOIEALJSA-M
MW301.24 g/mol
LogP2.02
Rot. Bonds5

About 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate

4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate (PubChem CID 7311295) has the molecular formula C13H9N4O5- and a molecular weight of 301.24 g/mol. Its IUPAC name is 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate.

Molecular Properties

Compound Name4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
PubChem CID7311295
Molecular FormulaC13H9N4O5-
Molecular Weight301.24 g/mol
Exact Mass301.06
IUPAC Name4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
SMILESO=[N+]([O-])c1ccc([O-])c(/C=N\Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-13-6-5-10(16(19)20)7-9(13)8-14-15-11-3-1-2-4-12(11)17(21)22/h1-8,15,18H/p-1/b14-8-
InChIKeySCLSIWDYYARRJF-ZSOIEALJSA-M
XLogP2.02
TPSA133.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-difluorophenyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 9058300
4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7415322
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 5463188
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-nitroaniline
CID 9059022
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
CID 6132068
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4-dinitroaniline
CID 135411855
N-[(3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2,4-dinitroaniline
CID 4230597
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate?
The IUPAC name of 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate (CID 7311295) is 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate.
What is the SMILES notation for 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate?
The canonical SMILES for 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate is O=[N+]([O-])c1ccc([O-])c(/C=N\Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate?
The InChIKey is SCLSIWDYYARRJF-ZSOIEALJSA-M. The full InChI is InChI=1S/C13H10N4O5/c18-13-6-5-10(16(19)20)7-9(13)8-14-15-11-3-1-2-4-12(11)17(21)22/h1-8,15,18H/p-1/b14-8-.
What are the key properties of 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate?
4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate has a molecular weight of 301.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate is sourced from PubChem (CID 7311295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).