Back to Search
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
Names and Synonyms:
Nicotinic Acid, Hydrazide
3-Pyridinecarboxylic acid, hydrazide
Nicotinic acid, hydrazide
Nicotinoylhydrazine
3-Pyridoylhydrazine
Nicotinyl hydrazide
Nicotinic hydrazide
Nicotinoyl hydrazide
NSC 36088
(3-Pyridylcarbonyl)hydrazine
3-Pyridinecarboxylic hydrazide
Nicotinylhydrazine
Niazid
Nicotinohydrazide
NSC 18775
NSC 41703
INHd 37
3-Pyridinecarbohydrazide
N-Aminopyridine-3-carboxamide
Pyridine-3-carbonylhydrazine
3-Nicotinohydrazide
Identifiers:
SMILES:
NN=C(O)c1cccnc1
InChI:
InChI=1S/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10)
Key Properties
Melting Point
161.5 °C
CAS Common Chemistry
Density
1.45 g/cm³
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 | 137.14 g/mol | CAS Common Chemistry |
| 137.142 g/mol | RDKit | |
| 137.058911844 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 |
| LogP | 0.25989999999999996 | RDKit |
| Molar Refractivity | 37.59020000000002 | RDKit |
