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4-(2-Pyridylazo)Resorcinol
CAS: 1141-59-9 | C11H9N3O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1141-59-9
Molecular Formula:
C11H9N3O2
Molecular Mass:
215.21 g/mol
Names and Synonyms:
4-(2-Pyridylazo)Resorcinol
4-(2-Pyridylazo)resorcinol
1-(2-Pyridylazo)-2,4-dihydroxybenzene
1,3-Benzenediol, 4-[2-(2-pyridinyl)diazenyl]-
Resorcinol, 4-(2-pyridylazo)-
1,3-Benzenediol, 4-(2-pyridinylazo)-
4-[2-(2-Pyridinyl)diazenyl]-1,3-benzenediol
PAR
4-(2-Pyridylazo)-1,3-benzenediol
1,3-Dihydroxy-4-(2′-pyridylazo)benzene
4-(2-Pyridinylazo)-1,3-benzenediol
4-(2-Pyridinylazo)resorcinol
PAR (resorcinol derivative)
4-(2-Pyridinylazo)-1,3-dihydroxybenzene
NSC 148355
SBR 1586
Identifiers:
SMILES:
Oc1ccc(N=Nc2ccccn2)c(O)c1
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
Key Properties
Melting Point
196-198 °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 | 215.21 g/mol | CAS Common Chemistry |
| 215.21200000000005 g/mol | RDKit | |
| 215.069476528 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 |
| LogP | 2.908200000000001 | RDKit |
| Molar Refractivity | 58.184600000000025 | RDKit |
