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1-(2′-Pyridylazo)-2-Naphthol
CAS: 85-85-8 | C15H11N3O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
85-85-8
Molecular Formula:
C15H11N3O
Molecular Mass:
249.27 g/mol
Names and Synonyms:
1-(2′-Pyridylazo)-2-Naphthol
2-Naphthalenol, 1-[2-(2-pyridinyl)diazenyl]-
2-Naphthol, 1-(2-pyridylazo)-
2-Naphthalenol, 1-(2-pyridinylazo)-
Pyridine, 2-(2-hydroxy-1-naphthylazo)-
1-[2-(2-Pyridinyl)diazenyl]-2-naphthalenol
2-Hydroxy-1-(2-pyridylazo)naphthalene
1-(2-Pyridylazo)-2-hydroxynaphthalene
1-(2-Pyridylazo)-2-naphthol
PAN (indicator)
PAN
1-(Pyridin-2-azo)-2-naphthol
1-(2-pyridylazo)naphthol-2
1-(2′-Pyridylazo)-2-naphthol
NSC 5332
2-Hydroxy-1-[pyridin-2-yldiazenyl]naphthalene
PAN 1
Identifiers:
SMILES:
Oc1ccc2ccccc2c1N=Nc1ccccn1
InChI:
InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H
Key Properties
Melting Point
137 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.27 g/mol | CAS Common Chemistry |
| 249.273 g/mol | RDKit | |
| 249.090211972 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=2C=CC=CC2C1N=NC3=NC=CC=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H | CAS Common Chemistry |
| InChI Key | InChIKey=LLYOXZQVOKALCD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137 °C | CAS Common Chemistry |
| Name | 1-(2′-Pyridylazo)-2-naphthol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 57.84 Ų | RDKit |
| LogP | 4.355800000000002 | RDKit |
| Molar Refractivity | 74.02580000000002 | RDKit |
