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Molecule
2-Chloro-5-Methyl-4-Pyridinamine
CAS: 79055-62-2 · C6H7ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79055-62-2
- Molecular Formula
- C6H7ClN2
- Molecular Mass
- 142.59 g/mol
Identifiers
CAS Registry Number
79055-62-2
SMILES
Cc1cnc(Cl)cc1N
InChI Key
CJGKOPNIXJWHKF-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2/c1-4-3-9-6(7)2-5(4)8/h2-3H,1H3,(H2,8,9)
Names and Synonyms
- 2-Chloro-5-Methyl-4-Pyridinamine Systematic Name
- 4-Pyridinamine, 2-chloro-5-methyl- Synonym
- 2-Chloro-5-methyl-4-pyridinamine Synonym
- 4-Amino-2-chloro-5-methylpyridine Synonym
- 2-Chloro-4-amino-5-methylpyridine Synonym
- 2-Chloro-5-methyl-pyridin-4-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.59 g/mol | CAS Common Chemistry |
| 142.58899999999997 g/mol | RDKit | |
| 142.589 g/mol | RDKit | |
| 142.586 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=NC=C(C(N)=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7ClN2/c1-4-3-9-6(7)2-5(4)8/h2-3H,1H3,(H2,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=CJGKOPNIXJWHKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115 °C | CAS Common Chemistry |
| Name | 2-Chloro-5-methyl-4-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| 38.38 Ų | chempirical lib | |
| LogP | 1.6256199999999998 | RDKit |
| 1.6256 | RDKit | |
| Molar Refractivity | 38.39640000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 142.029775904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
0 ppm
| 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 = 142.59 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7ClN2.
