1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol

C16H10N4O5 — CID 18981

IUPAC1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H/b18-17+
InChIKeyHBHZKFOUIUMKHV-ISLYRVAYSA-N
MW338.28 g/mol
LogP4.78
Rot. Bonds4

About 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol

1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 18981) has the molecular formula C16H10N4O5 and a molecular weight of 338.28 g/mol. Its IUPAC name is 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID18981
Molecular FormulaC16H10N4O5
Molecular Weight338.28 g/mol
Exact Mass338.07
IUPAC Name1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H/b18-17+
InChIKeyHBHZKFOUIUMKHV-ISLYRVAYSA-N
XLogP4.78
TPSA131.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
1-(p-Phenylazophenylazo)-2-naphthol (Sudan III)
CID 62331
Toluidine Red
CID 17047
1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]-
CID 79174
1-((2-Chloro-4-nitrophenyl)azo)-2-naphthol
CID 17778
Basic Brown 17
CID 135515517
1-(2-Hydroxyphenylazo)-2-naphthol
CID 173398
Basic Red 118
CID 135487619
6-(4-Hydroxy-phenyl)-1-nitro-naphthalen-2-ol
CID 10308268
2-Nitro-4-(2-naphthyldiazenyl)phenol
CID 581679
Sudan IV
CID 62330
1-(2-(2-Nitrophenyl)diazenyl)-2-naphthalenol
CID 80852

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol (CID 18981) is 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is HBHZKFOUIUMKHV-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H/b18-17+.
What are the key properties of 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol?
1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 338.28 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 18981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).