4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol

C16H11N3O3 — CID 3525274

IUPAC4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1ccc(O)c2ccccc12
InChIInChI=1S/C16H11N3O3/c20-16-10-9-13(11-5-1-2-6-12(11)16)17-18-14-7-3-4-8-15(14)19(21)22/h1-10,20H/b18-17+
InChIKeyDIIUPNMFNJKXQW-ISLYRVAYSA-N
MW293.28 g/mol
LogP4.87
Rot. Bonds3

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

4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol (PubChem CID 3525274) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
PubChem CID3525274
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1ccc(O)c2ccccc12
InChIInChI=1S/C16H11N3O3/c20-16-10-9-13(11-5-1-2-6-12(11)16)17-18-14-7-3-4-8-15(14)19(21)22/h1-10,20H/b18-17+
InChIKeyDIIUPNMFNJKXQW-ISLYRVAYSA-N
XLogP4.87
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
CID 3094136
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
CID 141193213
4-(2-nitrophenyl)sulfanylnaphthalen-1-ol
CID 23239241
chloro-(2-nitrophenyl)diazene
CID 13403227
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
CID 137242223
CID 137242223
4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
CID 135666418
8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
CID 4189423
4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol
CID 4238323

Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol (CID 3525274) is 4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol is O=[N+]([O-])c1ccccc1/N=N/c1ccc(O)c2ccccc12.
What is the InChIKey of 4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol?
The InChIKey is DIIUPNMFNJKXQW-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16-10-9-13(11-5-1-2-6-12(11)16)17-18-14-7-3-4-8-15(14)19(21)22/h1-10,20H/b18-17+.
What are the key properties of 4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol?
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol has a molecular weight of 293.28 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 3525274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).