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

C13H9N5O7 — CID 135537481

IUPAC2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc([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/b14-7+
InChIKeyWVDJVZCLXNOQCZ-VGOFMYFVSA-N
MW347.24 g/mol
LogP2.56
Rot. Bonds6

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

2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 135537481) has the molecular formula C13H9N5O7 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID135537481
Molecular FormulaC13H9N5O7
Molecular Weight347.24 g/mol
Exact Mass347.05
IUPAC Name2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc([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/b14-7+
InChIKeyWVDJVZCLXNOQCZ-VGOFMYFVSA-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

4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 137122714
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
CID 4227419
2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135759833
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 5463188
N-[(4-bromophenyl)methylideneamino]-2,4-dinitroaniline
CID 632518
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
2,4-dinitro-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6282029

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol (CID 135537481) is 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.
What is the InChIKey of 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is WVDJVZCLXNOQCZ-VGOFMYFVSA-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/b14-7+.
What are the key properties of 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
2-[(E)-[(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-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 135537481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).