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

C16H11N3O4 — CID 135503618

IUPAC2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1cc(O)c2ccccc2c1O
InChIInChI=1S/C16H11N3O4/c20-15-9-13(16(21)11-6-2-1-5-10(11)15)18-17-12-7-3-4-8-14(12)19(22)23/h1-9,20-21H/b18-17+
InChIKeySNBOLSXXCCJXBO-ISLYRVAYSA-N
MW309.28 g/mol
LogP4.57
Rot. Bonds3

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

2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol (PubChem CID 135503618) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol.

Molecular Properties

Compound Name2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
PubChem CID135503618
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1cc(O)c2ccccc2c1O
InChIInChI=1S/C16H11N3O4/c20-15-9-13(16(21)11-6-2-1-5-10(11)15)18-17-12-7-3-4-8-14(12)19(22)23/h1-9,20-21H/b18-17+
InChIKeySNBOLSXXCCJXBO-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': 'hydroquinone', '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-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
CID 136665588
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911
4-nitronaphthalene-1,2-diol
CID 54339442
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
4-[(2-hydroxyphenyl)diazenyl]-2,6-dinitrobenzene-1,3-diol
CID 136827509
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
3-[(5-chloro-2-hydroxy-3-nitrophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 135727413
4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
CID 141193213
4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
CID 135666418
chloro-(2-nitrophenyl)diazene
CID 13403227

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol?
The IUPAC name of 2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol (CID 135503618) is 2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol.
What is the SMILES notation for 2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol?
The canonical SMILES for 2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol is O=[N+]([O-])c1ccccc1/N=N/c1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol?
The InChIKey is SNBOLSXXCCJXBO-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-15-9-13(16(21)11-6-2-1-5-10(11)15)18-17-12-7-3-4-8-14(12)19(22)23/h1-9,20-21H/b18-17+.
What are the key properties of 2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol?
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol 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 2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol is sourced from PubChem (CID 135503618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).