3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol

C13H11N3O4 — CID 135403185

IUPAC3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1ccccc1N/N=C/c1cccc(O)c1O
InChIInChI=1S/C13H11N3O4/c17-12-7-3-4-9(13(12)18)8-14-15-10-5-1-2-6-11(10)16(19)20/h1-8,15,17-18H/b14-8+
InChIKeyWMKHPQWIARYVKU-RIYZIHGNSA-N
MW273.25 g/mol
LogP2.45
Rot. Bonds4

About 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol

3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135403185) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135403185
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1ccccc1N/N=C/c1cccc(O)c1O
InChIInChI=1S/C13H11N3O4/c17-12-7-3-4-9(13(12)18)8-14-15-10-5-1-2-6-11(10)16(19)20/h1-8,15,17-18H/b14-8+
InChIKeyWMKHPQWIARYVKU-RIYZIHGNSA-N
XLogP2.45
TPSA107.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
3-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403136
2-Methoxy-6-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 135623990
2-Methoxy-5-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 9599642
2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135520006
2-[(2,4-Dinitro-phenyl)-hydrazonomethyl]-4-nitro-phenol
CID 135537481
2-{1-[(2-Nitro-phenyl)-hydrazono]-ethyl}-phenol
CID 135537585
4-{(1E)-1-[2-(2-nitrophenyl)hydrazinylidene]propyl}phenol
CID 135455069
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
2-methoxy-5-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 9625365
3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135519988

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135403185) is 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol is O=[N+]([O-])c1ccccc1N/N=C/c1cccc(O)c1O.
What is the InChIKey of 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is WMKHPQWIARYVKU-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-12-7-3-4-9(13(12)18)8-14-15-10-5-1-2-6-11(10)16(19)20/h1-8,15,17-18H/b14-8+.
What are the key properties of 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 273.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135403185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).