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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 Weight: 137.14199999999997 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)

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 137.14199999999997 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 137.058911844 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 10 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 3 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 69.0 Ų RDKit

Physical Properties

Property Value Source
LogP 0.38577000000000006 RDKit
molecular_mass 137.14 g/mol Legacy Database
cas-canonical-smile N=C(NO)C1=NC=CC=C1 None Legacy Database
cas-inchi InChI=1S/C6H7N3O/c7-6(9-10)5-3-1-2-4-8-5/h1-4,10H,(H2,7,9) None Legacy Database
cas-inchi-key InChIKey=XKXCGXSHUNVFCT-UHFFFAOYSA-N None Legacy Database
cas-melting-point 115.5-116 °C @ Solvent: Water None Legacy Database
cas-name N-Hydroxy-2-pyridinecarboximidamide None Legacy Database

Molar

Property Value Source
Molar Refractivity 35.98790000000002 RDKit

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