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2-Amino-5-Iodopyridine
CAS: 20511-12-0 | C5H5IN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20511-12-0
Molecular Formula:
C5H5IN2
Molecular Mass:
220.01 g/mol
Names and Synonyms:
2-Amino-5-Iodopyridine
2-Pyridinamine, 5-iodo-
Pyridine, 2-amino-5-iodo-
5-Iodo-2-pyridinamine
5-Iodo-2-aminopyridine
2-Amino-5-iodopyridine
6-Amino-3-iodopyridine
NSC 31592
(5-Iodopyridin-2-yl)amine
Identifiers:
SMILES:
N=c1ccc(I)c[nH]1
InChI:
InChI=1S/C5H5IN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
Key Properties
Melting Point
129 °C
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 | 220.01 g/mol | CAS Common Chemistry |
| 220.013 g/mol | RDKit | |
| 219.94974616 g/mol | RDKit | |
| Canonical SMILES | IC1=CN=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5IN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=IVILGUFRMDBUEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129 °C | CAS Common Chemistry |
| Name | 2-Amino-5-iodopyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 1.09877 | RDKit |
| Molar Refractivity | 39.364399999999996 | RDKit |
