2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol

C13H9N5O7 — CID 3109090

IUPAC2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H9N5O7/c19-13-4-2-9(16(20)21)5-8(13)7-14-15-11-3-1-10(17(22)23)6-12(11)18(24)25/h1-7,15,19H
InChIKeyWVDJVZCLXNOQCZ-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.56
Rot. Bonds6

About 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol

2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 3109090) has the molecular formula C13H9N5O7 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID3109090
Molecular FormulaC13H9N5O7
Molecular Weight347.24 g/mol
Exact Mass347.05
IUPAC Name2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H9N5O7/c19-13-4-2-9(16(20)21)5-8(13)7-14-15-11-3-1-10(17(22)23)6-12(11)18(24)25/h1-7,15,19H
InChIKeyWVDJVZCLXNOQCZ-UHFFFAOYSA-N
XLogP2.56
TPSA174.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

Sivifene
CID 3089902
2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
2-[(2,4-Dinitro-phenyl)-hydrazonomethyl]-4-nitro-phenol
CID 135537481
2-{1-[(2-Nitro-phenyl)-hydrazono]-ethyl}-phenol
CID 135537585
Benzaldehyde, 2-hydroxy-5-nitro-, 2-chlorophenylhydrazone
CID 135439761
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
4-{(1E)-1-[2-(2,4-dinitrophenyl)hydrazinylidene]propyl}phenol
CID 135642212
3-{(E)-[2-(2-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403185
2-[(E)-C-methyl-N-(3-nitroanilino)carbonimidoyl]phenol
CID 135519867
Phenyl-thioacetic acid [1-(2-hydroxy-5-nitro-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029184

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol (CID 3109090) is 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.
What is the InChIKey of 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is WVDJVZCLXNOQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O7/c19-13-4-2-9(16(20)21)5-8(13)7-14-15-11-3-1-10(17(22)23)6-12(11)18(24)25/h1-7,15,19H.
What are the key properties of 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol has a molecular weight of 347.24 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 3109090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).