Back to Search
Molecule
Nicotinic Acid, Hydrazide
CAS: 553-53-7 · C6H7N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 553-53-7
- Molecular Formula
- C6H7N3O
- Molecular Mass
- 137.14 g/mol
Identifiers
CAS Registry Number
553-53-7
SMILES
NN=C(O)c1cccnc1
InChI Key
KFUSANSHCADHNJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10)
Names and Synonyms
- Nicotinic Acid, Hydrazide Systematic Name
- 3-Pyridinecarboxylic acid, hydrazide Synonym
- Nicotinic acid, hydrazide Synonym
- Nicotinoylhydrazine Synonym
- 3-Pyridoylhydrazine Synonym
- Nicotinyl hydrazide Synonym
- Nicotinic hydrazide Synonym
- Nicotinoyl hydrazide Synonym
- NSC 36088 Synonym
- (3-Pyridylcarbonyl)hydrazine Synonym
- 3-Pyridinecarboxylic hydrazide Synonym
- Nicotinylhydrazine Synonym
- Niazid Synonym
- Nicotinohydrazide Synonym
- NSC 18775 Synonym
- NSC 41703 Synonym
- INHd 37 Synonym
- 3-Pyridinecarbohydrazide Synonym
- N-Aminopyridine-3-carboxamide Synonym
- Pyridine-3-carbonylhydrazine Synonym
- 3-Nicotinohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.14 g/mol | CAS Common Chemistry |
| 137.142 g/mol | RDKit | |
| Density | 1.45 g/cm³ | CAS Common Chemistry |
| 1.454 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(NN)C=1C=NC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=KFUSANSHCADHNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 161.5 °C | CAS Common Chemistry |
| Name | Nicotinic acid, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 71.5 Ų | RDKit |
| 70.97 Ų | chempirical lib | |
| LogP | 0.25989999999999996 | RDKit |
| 0.2599 | RDKit | |
| Molar Refractivity | 37.59020000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.058911844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 137.14 g/mol; density = 1.450 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7N3O.
