1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol

C16H11N3O4 — CID 86290248

IUPAC1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C16H11N3O4/c20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H/b18-17+
InChIKeyJCELUWDKTLANOY-ISLYRVAYSA-N
MW309.28 g/mol
LogP4.57
Rot. Bonds3

About 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol

1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 86290248) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID86290248
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C16H11N3O4/c20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H/b18-17+
InChIKeyJCELUWDKTLANOY-ISLYRVAYSA-N
XLogP4.57
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 54.57
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

1-(Phenylazo)-2-naphthol
CID 13297
Orange OT
CID 17550
Toluidine Red
CID 17047
1-Nitroso-2-naphthol
CID 8580
1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]-
CID 79174
1-((2-Chloro-4-nitrophenyl)azo)-2-naphthol
CID 17778
Fast Orange
CID 18981
2,4-Dinitro-1-naphthol
CID 11802
1-Nitro-2-naphthol
CID 11075
4-Nitro-1-naphthol
CID 343829
Solvent Red 4
CID 75859
1-(2-Hydroxyphenylazo)-2-naphthol
CID 173398

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol (CID 86290248) is 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is JCELUWDKTLANOY-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H/b18-17+.
What are the key properties of 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol?
1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 309.28 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 86290248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).