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

C13H11N3O4 — CID 135519988

IUPAC3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1cccc(N/N=C/c2cccc(O)c2O)c1
InChIInChI=1S/C13H11N3O4/c17-12-6-1-3-9(13(12)18)8-14-15-10-4-2-5-11(7-10)16(19)20/h1-8,15,17-18H/b14-8+
InChIKeyIWNUJGKNMOHJOR-RIYZIHGNSA-N
MW273.25 g/mol
LogP2.45
Rot. Bonds4

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

3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135519988) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135519988
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1cccc(N/N=C/c2cccc(O)c2O)c1
InChIInChI=1S/C13H11N3O4/c17-12-6-1-3-9(13(12)18)8-14-15-10-4-2-5-11(7-10)16(19)20/h1-8,15,17-18H/b14-8+
InChIKeyIWNUJGKNMOHJOR-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

CID 135509553
CID 135509553
CID 135403136
CID 135403136
CID 135623990
CID 135623990
CID 9599642
CID 9599642
CID 135537481
CID 135537481
CID 135439762
CID 135439762
CID 9599641
CID 9599641
CID 292413
CID 292413
CID 135403185
CID 135403185
CID 135519867
CID 135519867
CID 135614586
CID 135614586
CID 135458685
CID 135458685

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135519988) is 3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol is O=[N+]([O-])c1cccc(N/N=C/c2cccc(O)c2O)c1.
What is the InChIKey of 3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is IWNUJGKNMOHJOR-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-12-6-1-3-9(13(12)18)8-14-15-10-4-2-5-11(7-10)16(19)20/h1-8,15,17-18H/b14-8+.
What are the key properties of 3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
3-[(E)-[(3-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)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135519988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).