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CAS No.: | 182483-97-2 |
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Name: | 2-HYDROXY-6-CHLOROPYRIDINE-4-CARBOXAMIDE |
Molecular Structure: | |
Formula: | C6H5ClN2O2 |
Molecular Weight: | 172.57 |
Synonyms: | 4-Pyridinecarboxamide, 2-chloro-6-hydroxy-; |
Density: | 1.544 g/cm3 |
Boiling Point: | 409.9 °C at 760 mmHg |
Flash Point: | 201.7 °C |
PSA: | 76.21000 |
LogP: | 1.23980 |
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The 2-Chloro-6-hydroxyisonicotinamide, with the CAS registry number 182483-97-2, is also known as 4-Pyridinecarboxamide, 2-chloro-6-hydroxy-. This chemical's molecular formula is C6H5ClN2O2 and molecular weight is 172.57. What's more, its systematic name is 2-Chloro-6-hydroxypyridine-4-carboxamide.
Physical properties about 2-Chloro-6-hydroxyisonicotinamide are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 20.17; (5)ACD/KOC (pH 7.4): 4.73; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 76.21 Å2; (10)Index of Refraction: 1.635; (11)Molar Refractivity: 40.05 cm3; (12)Molar Volume: 111.7 cm3; (13)Polarizability: 15.87×10-24 cm3; (14)Surface Tension: 73.1 dyne/cm; (15)Density: 1.544 g/cm3; (16)Flash Point: 201.7 °C; (17)Enthalpy of Vaporization: 68.79 kJ/mol; (18)Boiling Point: 409.9 °C at 760 mmHg; (19)Vapour Pressure: 2.64E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1cc(O)nc(Cl)c1
(2) InChI: InChI=1/C6H5ClN2O2/c7-4-1-3(6(8)11)2-5(10)9-4/h1-2H,(H2,8,11)(H,9,10)
(3) InChIKey: WVGAIBCNLHQTSH-UHFFFAOYAM