Basic information
- Name:
Pyridine,6-bromo-2-methyl-3-nitro-
- Superlist Name:
- 2-Bromo-6-methyl-5-nitropyridine
- CAS No.:
22282-96-8
- Molecular Structure:
- Formula:
- C6H5BrN2O2
- Molecular Weight:
- 217.02
- Synonyms:
- 6-Bromo-2-methyl-3-nitropyridine;2-Picoline,6-bromo-3-nitro- (8CI);
- Density:
- 1.709 g/cm3
- Melting Point:
- 69-70 °C
- Boiling Point:
- 274 °C at 760 mmHg
- Flash Point:
- 119.5 °C
- Appearance:
- Yellow solid
- Hazard Symbols:
T, 
Xi
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Specification
The 2-Bromo-6-methyl-5-nitropyridine is an organic compound with the formula C6H5BrN2O2. The IUPAC name of this chemical is 6-bromo-2-methyl-3-nitropyridine. With the CAS registry number 22282-96-8, it is also named as Pyridine, 6-bromo-2-methyl-3-nitro-. The product's categories are Pyridine; Pyridines; Heterocyclic Compounds; Heterocycles; Boronic Acid. It is a kind of yellow solid. In addition, the molecular weight is 217.02.
The other characteristics of 2-Bromo-6-methyl-5-nitropyridine can be summarized as: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 58.71 Å2; (9)Index of Refraction: 1.599; (10)Molar Refractivity: 43.4 cm3; (11)Molar Volume: 126.9 cm3; (12)Polarizability: 17.2×10-24 cm3; (13)Surface Tension: 54.5 dyne/cm; (14)Density: 1.709 g/cm3; (15)Flash Point: 119.5 °C; (16)Enthalpy of Vaporization: 49.17 kJ/mol; (17)Boiling Point: 274 °C at 760 mmHg; (18)Vapour Pressure: 0.0093 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])c1ccc(Br)nc1C
2. InChI:InChI=1/C6H5BrN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
3. InChIKey:PCNVKBBKROTUNS-UHFFFAOYAX
4. Std. InChI:InChI=1S/C6H5BrN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
5. Std. InChIKey:PCNVKBBKROTUNS-UHFFFAOYSA-N
