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Molecule
6-Chloro-3-Phenyl-2-Pyridinamine
CAS: 69214-19-3 · C11H9ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 69214-19-3
- Molecular Formula
- C11H9ClN2
- Molecular Mass
- 204.66 g/mol
Identifiers
CAS Registry Number
69214-19-3
SMILES
Nc1nc(Cl)ccc1-c1ccccc1
InChI Key
NOGZPCDWPPVALQ-UHFFFAOYSA-N
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)
Names and Synonyms
- 6-Chloro-3-Phenyl-2-Pyridinamine Systematic Name
- 2-Pyridinamine, 6-chloro-3-phenyl- Synonym
- 6-Chloro-3-phenyl-2-pyridinamine Synonym
- 2-Amino-6-chloro-3-phenylpyridine Synonym
- 6-Chloro-3-phenylpyridin-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.66 g/mol | CAS Common Chemistry |
| 204.657 g/mol | chempirical lib | |
| 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 |
| 38.38 Ų | chempirical lib | |
| LogP | 2.9842000000000013 | RDKit |
| 2.9842 | RDKit | |
| Molar Refractivity | 59.09540000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 204.045425968 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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MW = 204.66 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H9ClN2.
