Home >> Chemicals Listing >> hot product list by 2  

2(1H)-Pyridinone,5-chloro-3-methyl- (58498-61-6)

Identification
Name:2(1H)-Pyridinone,5-chloro-3-methyl-
Synonyms:2(1H)-Pyridone,5-chloro-3-methyl- (6CI);5-Chloro-3-methyl-2-pyridone;
CAS:58498-61-6
Molecular Formula: C6H6ClNO
Molecular Weight: 143.57
InChI: InChI=1/C6H6ClNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)
Molecular Structure: (C6H6ClNO) 2(1H)-Pyridone,5-chloro-3-methyl- (6CI);5-Chloro-3-methyl-2-pyridone;
Properties
Flash Point: 317.16 °C at 760 mmHg
Boiling Point: 317.16 °C at 760 mmHg
Density:1.313 g/cm3
Refractive index:1.572
Specification:

The IUPAC name of 5-Chloro-2-hydroxy-3-methylpyridine is 5-chloro-3-methyl-1H-pyridin-2-one. With the CAS registry number 58498-61-6, it is also named as 2(1H)-Pyridinone,5-chloro-3-methyl-. The product's categories are halides and pyridines, its molecular formula is C6H6ClNO and its molecular weight is 143.57. 

The other characteristics of 5-Chloro-2-hydroxy-3-methylpyridine can be summarized as: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.707; (4)ACD/LogD (pH 7.4): 1.704; (5)ACD/BCF (pH 5.5): 10.161; (6)ACD/BCF (pH 7.4): 10.109; (7)ACD/KOC (pH 5.5): 155.335; (8)ACD/KOC (pH 7.4): 154.531; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 0; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 35.946 cm3; (14)Molar Volume: 109.313 cm3; (15)Surface Tension: 49.499 dyne/cm; (16)Density: 1.313 g/cm3; (17)Flash Point: 145.614 °C; (18)Enthalpy of Vaporization: 58.079 kJ/mol; (19)Boiling Point: 317.16 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:Cc1cc(cnc1O)Cl
InChI:InChI=1/C6H6ClNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)
InChIKey:CBGCPCNUPUGPIF-UHFFFAOYAV
Std. InChI:InChI=1S/C6H6ClNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)
Std. InChIKey:CBGCPCNUPUGPIF-UHFFFAOYSA-N

Flash Point: 317.16 °C at 760 mmHg
Safety Data
 

Other Product