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Molecule
2-Amino-5-Bromo-3-Methylpyridine
CAS: 3430-21-5 · C6H7BrN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3430-21-5
- Molecular Formula
- C6H7BrN2
- Molecular Mass
- 187.04 g/mol
Identifiers
CAS Registry Number
3430-21-5
SMILES
Cc1cc(Br)c[nH]c1=N
InChI Key
KBLGGRWUEVCNPY-UHFFFAOYSA-N
InChI
InChI=1S/C6H7BrN2/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3,(H2,8,9)
Names and Synonyms
- 2-Amino-5-Bromo-3-Methylpyridine Synonym
- 2-Pyridinamine, 5-bromo-3-methyl- Synonym
- 3-Picoline, 2-amino-5-bromo- Synonym
- 5-Bromo-3-methyl-2-pyridinamine Synonym
- 2-Amino-5-bromo-3-methylpyridine Synonym
- 2-Amino-3-methyl-5-bromopyridine Synonym
- 5-Bromo-3-methylpyridin-2-ylamine Synonym
- 5-Bromo-3-methyl-2-aminopyridine Synonym
- 2-Amino-5-bromo-3-picoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.04 g/mol | CAS Common Chemistry |
| 187.04000000000005 g/mol | RDKit | |
| Canonical SMILES | BrC1=CN=C(N)C(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7BrN2/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3,(H2,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=KBLGGRWUEVCNPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90-92 °C | CAS Common Chemistry |
| Name | 2-Amino-5-bromo-3-methylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.5650899999999994 | RDKit |
| 1.5651 | RDKit | |
| Molar Refractivity | 39.0844 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 185.979260324 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| 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 = 187.04 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7BrN2.
