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Molecule
N-Hydroxy-2-Pyridinecarboximidamide
CAS: 1772-01-6 · C6H7N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1772-01-6
- Molecular Formula
- C6H7N3O
- Molecular Mass
- 137.14 g/mol
Identifiers
CAS Registry Number
1772-01-6
SMILES
N=C(NO)c1ccccn1
InChI Key
XKXCGXSHUNVFCT-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3O/c7-6(9-10)5-3-1-2-4-8-5/h1-4,10H,(H2,7,9)
Names and Synonyms
- N-Hydroxy-2-Pyridinecarboximidamide Synonym
- 2-Pyridinecarboximidamide, N-hydroxy- Synonym
- Picolinamidoxime Synonym
- N-Hydroxy-2-pyridinecarboximidamide Synonym
- 2-Pyridylamidoxime Synonym
- Picolinic acid amidoxime Synonym
- Pyridine-2-amidoxime Synonym
- Picolinamide oxime Synonym
- 2-Pyridinecarboxamidoxime Synonym
- N′-Hydroxy-2-pyridinecarboximidamide Synonym
- 2-Pyridinecarboxamide oxime Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.14 g/mol | CAS Common Chemistry |
| 137.14199999999997 g/mol | RDKit | |
| 137.142 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 |
| 0.3858 | RDKit | |
| Molar Refractivity | 35.98790000000002 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
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1
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200 ppm
180
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| 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.
External Resources
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MW = 137.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7N3O.
