Basic information
- Name:
4-Pyridinol, 2-methyl-
- Superlist Name:
- 4-Hydroxy-2-methylpyridine
- CAS No.:
18615-86-6
- Molecular Structure:
- Formula:
- C6H7NO
- Molecular Weight:
- 109.13
- Synonyms:
- 2-Methyl-4-hydroxypyridine;2-Methylpyridin-4-ol;
- Density:
- 1.053 g/cm3
- Boiling Point:
- 201.2 °C at 760 mmHg
- Flash Point:
- 98.2 °C
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Specification
The 4-Pyridinol, 2-methyl-, with the CAS registry number 18615-86-6, has the systematic name of 2-methylpyridin-4(1H)-one. It is also called 2-Methyl-4-hydroxypyridine, and belongs to the product categories: Heterocyclic Series and Pyridines. And the molecular formula of this chemical is C6H7NO.
The physical properties of 4-Pyridinol, 2-methyl- are as followings: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.16; (8)ACD/KOC (pH 7.4): 14.37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 30.44 cm3; (15)Molar Volume: 103.5 cm3; (16)Polarizability: 12.07×10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 98.2 °C; (20)Enthalpy of Vaporization: 43.74 kJ/mol; (21)Boiling Point: 201.2 °C at 760 mmHg; (22)Vapour Pressure: 0.312 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C=C(/N/C=C/1)C
(2)InChI: InChI=1/C6H7NO/c1-5-4-6(8)2-3-7-5/h2-4H,1H3,(H,7,8)
(3)InChIKey: KZDSIZCJICMHJW-UHFFFAOYAJ
