4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol

C12H9N3O4 — CID 6320

IUPAC4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(O)cc2O)cc1
InChIInChI=1S/C12H9N3O4/c16-10-5-6-11(12(17)7-10)14-13-8-1-3-9(4-2-8)15(18)19/h1-7,16-17H/b14-13+
InChIKeyNGPGYVQZGRJHFJ-BUHFOSPRSA-N
MW259.22 g/mol
LogP3.42
Rot. Bonds3

About 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol

4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol (PubChem CID 6320) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol
PubChem CID6320
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(O)cc2O)cc1
InChIInChI=1S/C12H9N3O4/c16-10-5-6-11(12(17)7-10)14-13-8-1-3-9(4-2-8)15(18)19/h1-7,16-17H/b14-13+
InChIKeyNGPGYVQZGRJHFJ-BUHFOSPRSA-N
XLogP3.42
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-(Phenylazo)resorcinol
CID 16325
2-Nitroresorcinol
CID 11760
Styphnic acid
CID 6721
2,4-Dinitroresorcinol
CID 10613
4-Hydroxy-4'-nitroazobenzene
CID 15035
4-(2-(3-Nitrophenyl)diazenyl)-1,3-benzenediol
CID 221121
4-Nitroresorcinol
CID 76623
5-Methyl-4-(4-nitrophenylazo)resorcinol
CID 69095
4-Nitrosoresorcinol
CID 120338
4,6-Dinitroresorcinol
CID 61158
Nitrophloroglucinol
CID 85509
4-[(2-Nitrophenyl)diazenyl]benzene-1,3-diol
CID 221193

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol (CID 6320) is 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol is O=[N+]([O-])c1ccc(/N=N/c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol?
The InChIKey is NGPGYVQZGRJHFJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-10-5-6-11(12(17)7-10)14-13-8-1-3-9(4-2-8)15(18)19/h1-7,16-17H/b14-13+.
What are the key properties of 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol?
4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol has a molecular weight of 259.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol is sourced from PubChem (CID 6320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).