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6-Chloro-3-Phenyl-2-Pyridinamine
CAS: 69214-19-3 | C11H9ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69214-19-3
Molecular Formula:
C11H9ClN2
Molecular Mass:
204.66 g/mol
Names and Synonyms:
6-Chloro-3-Phenyl-2-Pyridinamine
2-Pyridinamine, 6-chloro-3-phenyl-
6-Chloro-3-phenyl-2-pyridinamine
2-Amino-6-chloro-3-phenylpyridine
6-Chloro-3-phenylpyridin-2-amine
Identifiers:
SMILES:
Nc1nc(Cl)ccc1-c1ccccc1
InChI:
InChI=1S/C11H9ClN2/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)
Key Properties
Melting Point
155-157 °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 | 204.66 g/mol | CAS Common Chemistry |
| 204.045425968 g/mol | RDKit | |
| Canonical SMILES | ClC=1N=C(N)C(=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H9ClN2/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=NOGZPCDWPPVALQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-157 °C | CAS Common Chemistry |
| Name | 6-Chloro-3-phenyl-2-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| LogP | 2.9842000000000013 | RDKit |
| Molar Refractivity | 59.09540000000002 | RDKit |
