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N-Hydroxy-2-Pyridinecarboximidamide
CAS: 1772-01-6 | C6H7N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1772-01-6
Molecular Formula:
C6H7N3O
Molecular Mass:
137.14 g/mol
Names and Synonyms:
N-Hydroxy-2-Pyridinecarboximidamide
2-Pyridinecarboximidamide, N-hydroxy-
Picolinamidoxime
N-Hydroxy-2-pyridinecarboximidamide
2-Pyridylamidoxime
Picolinic acid amidoxime
Pyridine-2-amidoxime
Picolinamide oxime
2-Pyridinecarboxamidoxime
N′-Hydroxy-2-pyridinecarboximidamide
2-Pyridinecarboxamide oxime
Identifiers:
SMILES:
N=C(NO)c1ccccn1
InChI:
InChI=1S/C6H7N3O/c7-6(9-10)5-3-1-2-4-8-5/h1-4,10H,(H2,7,9)
Key Properties
Melting Point
115.5-116 °C @ Solvent: Water
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 |
| 137.14199999999997 g/mol | RDKit | |
| 137.058911844 g/mol | RDKit | |
| Canonical SMILES | N=C(NO)C1=NC=CC=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N3O/c7-6(9-10)5-3-1-2-4-8-5/h1-4,10H,(H2,7,9) | CAS Common Chemistry |
| InChI Key | InChIKey=XKXCGXSHUNVFCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115.5-116 °C @ Solvent: Water | CAS Common Chemistry |
| Name | N-Hydroxy-2-pyridinecarboximidamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.0 Ų | RDKit |
| LogP | 0.38577000000000006 | RDKit |
| Molar Refractivity | 35.98790000000002 | RDKit |
