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Molecule
Salicylaldehyde Isonicotinoylhydrazone
CAS: 495-84-1 · C13H11N3O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 495-84-1
- Molecular Formula
- C13H11N3O2
- Molecular Mass
- 241.25 g/mol
Identifiers
CAS Registry Number
495-84-1
SMILES
O=C(NN=Cc1ccccc1O)c1ccncc1
InChI Key
VBIZUNYMJSPHBH-UHFFFAOYSA-N
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)
Names and Synonyms
- Salicylaldehyde Isonicotinoylhydrazone Common Name
- 4-Pyridinecarboxylic acid, 2-[(2-hydroxyphenyl)methylene]hydrazide Synonym
- Isonicotinic acid, salicylidenehydrazide Synonym
- 4-Pyridinecarboxylic acid, [(2-hydroxyphenyl)methylene]hydrazide Synonym
- Hydrazine, 1-isonicotinoyl-2-salicylidene- Synonym
- o-Hydroxybenzal isonicotinylhydrazone Synonym
- N-Isonicotinoyl-N′-(salicylidene)hydrazine Synonym
- 1-Isonicotinoyl-2-salicylidenehydrazine Synonym
- Nupasal Synonym
- Nupasal 213 Synonym
- SAH Synonym
- Salinazid Synonym
- Salizid Synonym
- Salicylaldehyde isonicotinoylhydrazone Synonym
- o-Hydroxybenzaldehyde isonicotinoylhydrazone Synonym
- Salicylaldehyde 4-pyridinecarboxylic acid hydrazone Synonym
- o-Oxyberon Synonym
- Phthisosan Synonym
- INSH Synonym
- Neobicina Salicilica Synonym
- Nilazid Synonym
- Salizide Synonym
- N-Isonicotinamidosalicylaldimine Synonym
- Salicylidene isonicotinoylhydrazone Synonym
- NSC 33760 Synonym
- SIH Synonym
- (2-Hydroxybenzylidene)pyridine-4-carbohydrazide Synonym
- Salicylaldehyde isonicotinoylhydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.25 g/mol | CAS Common Chemistry |
| 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 |
| 74.05 Ų | chempirical lib | |
| LogP | 1.5511 | RDKit |
| Molar Refractivity | 67.40400000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 241.085126592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 241.25 g/mol. Edit any field — others recompute live.
