Basic information
- Name:
3-Pyridinol,2-amino-5-bromo-
- Superlist Name:
- 2-Hydroxy-3-amino-5-bromopyridine
- CAS No.:
39903-01-0
- Molecular Structure:
- Formula:
- C5H5BrN2O
- Molecular Weight:
- 189.01
- Synonyms:
- 2-Amino-3-hydroxy-5-bromopyridine;2-Amino-5-bromo-3-hydroxypyridine;2-Amino-5-bromo-3-pyridinol;
- Density:
- 1.826 g/cm3
- Boiling Point:
- 295.13 °C at 760 mmHg
- Flash Point:
- 132.29 °C
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Specification
The 2-Hydroxy-3-amino-5-bromopyridine is an organic compound with the formula C5H5BrN2O. The IUPAC name of this chemical is 3-amino-5-bromo-1H-pyridin-2-one. With the CAS registry number 39903-01-0, it is also named as 2-pyridinol, 3-amino-5-bromo-. And the molecular weight is 189.01. In addition, this chemical is khaki solid.
The other characteristics of 2-Hydroxy-3-amino-5-bromopyridine can be summarized as: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 8; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.635; (13)Molar Refractivity: 37.076 cm3; (14)Molar Volume: 103.489 cm3; (15)Polarizability: 14.698×10-24 cm3; (16)Surface Tension: 57.022 dyne/cm; (17)Density: 1.826 g/cm3; (18)Flash Point: 132.29 °C; (19)Enthalpy of Vaporization: 53.482 kJ/mol; (20)Boiling Point: 295.13 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Br\C\1=C\NC(=O)C(/N)=C/1
2. InChI:InChI=1/C5H5BrN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
3. InChIKey:ULOVLVWNSQNABA-UHFFFAOYAM
4. Std. InChI:InChI=1S/C5H5BrN2O/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
5. Std. InChIKey:ULOVLVWNSQNABA-UHFFFAOYSA-N
