4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol

C16H10N4O6 — CID 3094136

IUPAC4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3c(O)cccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10N4O6/c21-14-3-1-2-10-11(6-7-15(22)16(10)14)17-18-12-5-4-9(19(23)24)8-13(12)20(25)26/h1-8,21-22H/b18-17+
InChIKeyIJBKBVSQMJIFJI-ISLYRVAYSA-N
MW354.28 g/mol
LogP4.48
Rot. Bonds4

About 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol

4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol (PubChem CID 3094136) has the molecular formula C16H10N4O6 and a molecular weight of 354.28 g/mol. Its IUPAC name is 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol.

Molecular Properties

Compound Name4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
PubChem CID3094136
Molecular FormulaC16H10N4O6
Molecular Weight354.28 g/mol
Exact Mass354.06
IUPAC Name4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3c(O)cccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10N4O6/c21-14-3-1-2-10-11(6-7-15(22)16(10)14)17-18-12-5-4-9(19(23)24)8-13(12)20(25)26/h1-8,21-22H/b18-17+
InChIKeyIJBKBVSQMJIFJI-ISLYRVAYSA-N
XLogP4.48
TPSA151.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
azane;2,4-dinitrophenol;hydrate
CID 174664401
4-(dibutylamino)-1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol
CID 136900153
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol
CID 171982731
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
5-hydroxy-8-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalene-1-sulfonyl chloride
CID 135819037
5-amino-4-hydroxy-8-[(2-nitro-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136610984
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
acetic acid;bis(2,4-dinitrophenol)
CID 88801874

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol?
The IUPAC name of 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol (CID 3094136) is 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol.
What is the SMILES notation for 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol?
The canonical SMILES for 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol is O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3c(O)cccc23)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol?
The InChIKey is IJBKBVSQMJIFJI-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H10N4O6/c21-14-3-1-2-10-11(6-7-15(22)16(10)14)17-18-12-5-4-9(19(23)24)8-13(12)20(25)26/h1-8,21-22H/b18-17+.
What are the key properties of 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol?
4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol has a molecular weight of 354.28 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol is sourced from PubChem (CID 3094136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).