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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 Weight:
142.589 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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 142.59 g/mol | Legacy Database |
| cas-canonical-smile | ClC1=NC=C(N)C(=C1)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H7ClN2/c1-4-2-6(7)9-3-5(4)8/h2-3H,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PLSMBLIGZJWLEJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 6-Chloro-4-methyl-3-pyridinamine None | Legacy Database |
| LogP | 1.6256199999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.589 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.029775904 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.91 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.39640000000001 | RDKit |
