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Molecule
4-(2-Pyridylazo)Resorcinol
CAS: 1141-59-9 · C11H9N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1141-59-9
- Molecular Formula
- C11H9N3O2
- Molecular Mass
- 215.21 g/mol
Identifiers
CAS Registry Number
1141-59-9
SMILES
Oc1ccc(N=Nc2ccccn2)c(O)c1
InChI Key
RJNYNDHYSJRRDW-UHFFFAOYSA-N
InChI
InChI=1S/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,15-16H
Names and Synonyms
- 4-(2-Pyridylazo)Resorcinol Synonym
- 4-(2-Pyridylazo)resorcinol Synonym
- 1-(2-Pyridylazo)-2,4-dihydroxybenzene Synonym
- 1,3-Benzenediol, 4-[2-(2-pyridinyl)diazenyl]- Synonym
- Resorcinol, 4-(2-pyridylazo)- Synonym
- 1,3-Benzenediol, 4-(2-pyridinylazo)- Synonym
- 4-[2-(2-Pyridinyl)diazenyl]-1,3-benzenediol Synonym
- PAR Synonym
- 4-(2-Pyridylazo)-1,3-benzenediol Synonym
- 1,3-Dihydroxy-4-(2′-pyridylazo)benzene Synonym
- 4-(2-Pyridinylazo)-1,3-benzenediol Synonym
- 4-(2-Pyridinylazo)resorcinol Synonym
- PAR (resorcinol derivative) Synonym
- 4-(2-Pyridinylazo)-1,3-dihydroxybenzene Synonym
- NSC 148355 Synonym
- SBR 1586 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.21 g/mol | CAS Common Chemistry |
| 215.21200000000005 g/mol | RDKit | |
| 215.212 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(N=NC2=NC=CC=C2)C(O)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,15-16H | CAS Common Chemistry |
| InChI Key | InChIKey=RJNYNDHYSJRRDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196-198 °C | CAS Common Chemistry |
| Name | 4-(2-Pyridylazo)resorcinol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 78.07000000000001 Ų | RDKit |
| 78.07 Ų | RDKit | |
| 77.54 Ų | chempirical lib | |
| LogP | 2.908200000000001 | RDKit |
| 2.9082 | RDKit | |
| Molar Refractivity | 58.184600000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 215.069476528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 215.21 g/mol. Edit any field — others recompute live.
