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Molecule
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
Identifiers
CAS Registry Number
85-85-8
SMILES
Oc1ccc2ccccc2c1N=Nc1ccccn1
InChI Key
LLYOXZQVOKALCD-UHFFFAOYSA-N
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
Names and Synonyms
- 1-(2′-Pyridylazo)-2-Naphthol Systematic Name
- 2-Naphthalenol, 1-[2-(2-pyridinyl)diazenyl]- Synonym
- 2-Naphthol, 1-(2-pyridylazo)- Synonym
- 2-Naphthalenol, 1-(2-pyridinylazo)- Synonym
- Pyridine, 2-(2-hydroxy-1-naphthylazo)- Synonym
- 1-[2-(2-Pyridinyl)diazenyl]-2-naphthalenol Synonym
- 2-Hydroxy-1-(2-pyridylazo)naphthalene Synonym
- 1-(2-Pyridylazo)-2-hydroxynaphthalene Synonym
- 1-(2-Pyridylazo)-2-naphthol Synonym
- PAN (indicator) Synonym
- PAN Synonym
- 1-(Pyridin-2-azo)-2-naphthol Synonym
- 1-(2-pyridylazo)naphthol-2 Synonym
- 1-(2′-Pyridylazo)-2-naphthol Synonym
- NSC 5332 Synonym
- 2-Hydroxy-1-[pyridin-2-yldiazenyl]naphthalene Synonym
- PAN 1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.27 g/mol | CAS Common Chemistry |
| 249.273 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 |
| 57.31 Ų | chempirical lib | |
| LogP | 4.355800000000002 | RDKit |
| 4.3558 | RDKit | |
| Molar Refractivity | 74.02580000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 249.090211972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 249.27 g/mol. Edit any field — others recompute live.
