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| CAS No.: | 53242-18-5 |
|---|---|
| Name: | 5-AMINO-3-BROMO-2-METHOXYPYRIDINE |
| Molecular Structure: | |
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| Formula: | C6H7BrN2O |
| Molecular Weight: | 203.038 |
| Synonyms: | 5-Bromo-6-methoxypyridin-3-amine; |
| Density: | 1.622 g/cm3 |
| Boiling Point: | 292.4 °C at 760 mmHg |
| Flash Point: | 130.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 48.14000 |
| LogP: | 2.01610 |
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Specification
The 5-Amino-3-bromo-2-methoxypyridine, with CAS registry number 53242-18-5, belongs to the following product categories: (1)Pyridine; (2)Pyridines; (3)Chemical Amines; (4)Amines; (5)Heterocycles; (6)Boronic Acid. It has the systematic name of 5-bromo-6-methoxypyridin-3-amine. And the chemical formula of this chemical is C6H7BrN2O.
Physical properties of 5-Amino-3-bromo-2-methoxypyridine: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.3; (6)ACD/BCF (pH 7.4): 11.3; (7)ACD/KOC (pH 5.5): 197.35; (8)ACD/KOC (pH 7.4): 197.48; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.14 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 42.94 cm3; (15)Molar Volume: 125.1 cm3; (16)Polarizability: 17.02×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Enthalpy of Vaporization: 53.19 kJ/mol; (19)Vapour Pressure: 0.00184 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(N)cnc1OC
(2)InChI: InChI=1/C6H7BrN2O/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,8H2,1H3
(3)InChIKey: YWYVVGOHQBANQI-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H7BrN2O/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,8H2,1H3
(5)Std. InChIKey: YWYVVGOHQBANQI-UHFFFAOYSA-N