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Molecule
5-Bromo-3,4-Dimethyl-2-Pyridinamine
CAS: 374537-97-0 · C7H9BrN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 374537-97-0
- Molecular Formula
- C7H9BrN2
- Molecular Mass
- 201.07 g/mol
Identifiers
CAS Registry Number
374537-97-0
SMILES
Cc1c(Br)c[nH]c(=N)c1C
InChI Key
YAVKJNIMFGZBSY-UHFFFAOYSA-N
InChI
InChI=1S/C7H9BrN2/c1-4-5(2)7(9)10-3-6(4)8/h3H,1-2H3,(H2,9,10)
Names and Synonyms
- 5-Bromo-3,4-Dimethyl-2-Pyridinamine Systematic Name
- 2-Pyridinamine, 5-bromo-3,4-dimethyl- Synonym
- 5-Bromo-3,4-dimethyl-2-pyridinamine Synonym
- 2-Amino-5-bromo-3,4-dimethylpyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.07 g/mol | CAS Common Chemistry |
| 201.06700000000004 g/mol | RDKit | |
| 201.067 g/mol | RDKit | |
| Canonical SMILES | BrC1=CN=C(N)C(=C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9BrN2/c1-4-5(2)7(9)10-3-6(4)8/h3H,1-2H3,(H2,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=YAVKJNIMFGZBSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Bromo-3,4-dimethyl-2-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 1.8735099999999998 | RDKit |
| 1.8735 | RDKit | |
| 1.76 | chempirical lib | |
| Molar Refractivity | 43.821400000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 199.994910388 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.
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MW = 201.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9BrN2.
