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6-Chloro-4-Methyl-3-Pyridinamine
CAS: 66909-38-4 | C6H7ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
66909-38-4
Molecular Formula:
C6H7ClN2
Molecular Mass:
142.59 g/mol
Names and Synonyms:
6-Chloro-4-Methyl-3-Pyridinamine
3-Pyridinamine, 6-chloro-4-methyl-
6-Chloro-4-methyl-3-pyridinamine
5-Amino-2-chloro-4-methylpyridine
(6-Chloro-4-methylpyridin-3-yl)amine
3-Amino-6-chloro-4-methylpyridine
3-Amino-6-chloro-4-picoline
Identifiers:
SMILES:
Cc1cc(Cl)ncc1N
InChI:
InChI=1S/C6H7ClN2/c1-4-2-6(7)9-3-5(4)8/h2-3H,8H2,1H3
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 | 142.59 g/mol | CAS Common Chemistry |
| 142.589 g/mol | RDKit | |
| 142.029775904 g/mol | RDKit | |
| Canonical SMILES | ClC1=NC=C(N)C(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7ClN2/c1-4-2-6(7)9-3-5(4)8/h2-3H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PLSMBLIGZJWLEJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Chloro-4-methyl-3-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 |
| LogP | 1.6256199999999998 | RDKit |
| Molar Refractivity | 38.39640000000001 | RDKit |
