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2(1H)-Pyridinone,6-bromo- (27992-32-1)

Identification
Name:2(1H)-Pyridinone,6-bromo-
Synonyms:2(1H)-Pyridone,6-bromo- (8CI);2-Hydroxy-6-bromopyridine;6-Bromo-2(1H)-pyridinone;6-Bromo-2-hydroxypyridine;6-Bromo-2-pyridinol;6-Bromo-2-pyridone;
CAS:27992-32-1
Molecular Formula: C5H4BrNO
Molecular Weight: 174
InChI: InChI=1/C5H4BrNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
Molecular Structure: (C5H4BrNO) 2(1H)-Pyridone,6-bromo- (8CI);2-Hydroxy-6-bromopyridine;6-Bromo-2(1H)-pyridinone;6-Bromo-2-hydroxypy...
Properties
Density:1.776g/cm3
Refractive index:1.6
Specification:

The 2-Bromo-6-hydroxypyridine is an organic compound with the formula C5H4BrNO. The IUPAC name of this chemical is 6-bromo-1H-pyridin-2-one. With the CAS registry number 27992-32-1, it is also named as 6-bromopyridin-2-ol. The product's category is Pyridine. In addition, it is used in organic synthesis.

The other characteristics of 2-Bromo-6-hydroxypyridine can be summarized as: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.82; (8)ACD/KOC (pH 7.4): 10.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 33.52 cm3; (14)Molar Volume: 97.9 cm3; (15)Polarizability: 13.29×10-24 cm3; (16)Surface Tension: 48.4 dyne/cm; (17)Flash Point: 157.4 °C; (18)Enthalpy of Vaporization: 57.98 kJ/mol; (19)Boiling Point: 336.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000111 mmHg at 25°C; (21)Tautomer Count: 2; (22)Exact Mass: 172.947626; (23)MonoIsotopic Mass: 172.947626; (24)Topological Polar Surface Area: 29.1; (25)Heavy Atom Count: 8; (26)Complexity: 171.

People can use the following data to convert to the molecule structure.
1. SMILES:Br\C1=C\C=C/C(=O)N1
2. InChI:InChI=1/C5H4BrNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8) 
3. InChIKey:VOMMPWVMVDGZEM-UHFFFAOYAR
4. Std. InChI:InChI=1S/C5H4BrNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
5.Std. InChIKey:VOMMPWVMVDGZEM-UHFFFAOYSA-N

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