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Salicylaldehyde Isonicotinoylhydrazone
CAS: 495-84-1 | C13H11N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
495-84-1
Molecular Formula:
C13H11N3O2
Molecular Mass:
241.25 g/mol
Names and Synonyms:
Salicylaldehyde Isonicotinoylhydrazone
4-Pyridinecarboxylic acid, 2-[(2-hydroxyphenyl)methylene]hydrazide
Isonicotinic acid, salicylidenehydrazide
4-Pyridinecarboxylic acid, [(2-hydroxyphenyl)methylene]hydrazide
Hydrazine, 1-isonicotinoyl-2-salicylidene-
o-Hydroxybenzal isonicotinylhydrazone
N-Isonicotinoyl-N′-(salicylidene)hydrazine
1-Isonicotinoyl-2-salicylidenehydrazine
Nupasal
Nupasal 213
SAH
Salinazid
Salizid
Salicylaldehyde isonicotinoylhydrazone
o-Hydroxybenzaldehyde isonicotinoylhydrazone
Salicylaldehyde 4-pyridinecarboxylic acid hydrazone
o-Oxyberon
Phthisosan
INSH
Neobicina Salicilica
Nilazid
Salizide
N-Isonicotinamidosalicylaldimine
Salicylidene isonicotinoylhydrazone
NSC 33760
SIH
(2-Hydroxybenzylidene)pyridine-4-carbohydrazide
Salicylaldehyde isonicotinoylhydrazine
Identifiers:
SMILES:
O=C(NN=Cc1ccccc1O)c1ccncc1
InChI:
InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)
Key Properties
Melting Point
232 °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 | 241.25 g/mol | CAS Common Chemistry |
| 241.085126592 g/mol | RDKit | |
| Canonical SMILES | O=C(NN=CC=1C=CC=CC1O)C=2C=CN=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18) | CAS Common Chemistry |
| InChI Key | InChIKey=VBIZUNYMJSPHBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 232 °C | CAS Common Chemistry |
| Name | Salicylaldehyde isonicotinoylhydrazone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.58 Ų | RDKit |
| LogP | 1.5511 | RDKit |
| Molar Refractivity | 67.40400000000002 | RDKit |
